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42517-23-7 | 2-Isopropylbenzo[d]thiazol-6-amine
CAS No: 42517-23-7 Catalog No: AG003HHR MDL No:MFCD03486863
Product Description
Catalog Number:
AG003HHR
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
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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