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84761-93-3 | ethyl (6-methylbenzothiazol-2-yl)carbamoylformate
CAS No: 84761-93-3 Catalog No: AG004YA8 MDL No:MFCD01672599
Product Description
Catalog Number:
AG004YA8
Chemical Name:
ethyl (6-methylbenzothiazol-2-yl)carbamoylformate
CAS Number:
84761-93-3
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
MDL Number:
MFCD01672599
IUPAC Name:
ethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
InChI:
InChI=1S/C12H12N2O3S/c1-3-17-11(16)10(15)14-12-13-8-5-4-7(2)6-9(8)18-12/h4-6H,3H2,1-2H3,(H,13,14,15)
InChI Key:
FEDKXZRSVIBYDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Nc1nc2c(s1)cc(cc2)C
NSC Number:
623753
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis, in vitro and in silico screening of ethyl 2-(6-substituted benzo[d]thiazol-2-ylamino)-2-oxoacetates as protein-tyrosine phosphatase 1B inhibitors. | European journal of medicinal chemistry 20120701 |
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