Home Amines 42517-23-7
42517-23-7,MFCD03486863
Catalog No.:AA003HEZ
42517-23-7 | 2-Isopropylbenzo[d]thiazol-6-amine
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100mg
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HEZ
Chemical Name:
2-Isopropylbenzo[d]thiazol-6-amine
CAS Number:
42517-23-7
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD03486863
IUPAC Name:
2-propan-2-yl-1,3-benzothiazol-6-amine
InChI:
InChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3
InChI Key:
HWXYBXYFYWOVAS-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)sc(n2)C(C)C
Properties
Computed Properties
 
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
42517-23-7 
2-Isopropylbenzo[d]thiazol-6-amine 
CTK7D8588 
DTXSID60389863 
HMS1698B01 
ZINC4245351 
5868AB 
SBB010877 
2-isopropylbenzo[d]thiazol-6-ylamine 
AKOS000301058 
2-isopropyl-1,3-benzothiazol-6-amine 
MCULE-8132092164 
2-Isopropyl-benzothiazol-6-ylamine 
AJ-49660 
2-propan-2-yl-1,3-benzothiazol-6-amine 
6-Benzothiazolamine, 2-(1-methylethyl)- 
TR-016634 
FT-0677643 
ST50272089 
EN300-56882 
Z-2252 
I01-13203 
C10H12N2S 
2-(propan-2-yl)-1,3-benzothiazol-6-amine 
CID3147256 
6-Benzothiazolamine, 2-(1-methylethyl)- (9CI) 
2-(methylethyl)benzothiazole-6-ylamine 
BAS 03422397 
AC1MK1HC 
AC1Q1OXM 
SCHEMBL11796059 
6-Amino-2-isopropylbenzothiazole 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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