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1007386-72-2 | 4H-Pyrrolo[2,3-d]thiazole-5-carboxylic acid
CAS No: 1007386-72-2 Catalog No: AG0002QT MDL No:MFCD11501500
Product Description
Catalog Number:
AG0002QT
Chemical Name:
4H-Pyrrolo[2,3-d]thiazole-5-carboxylic acid
CAS Number:
1007386-72-2
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
MDL Number:
MFCD11501500
IUPAC Name:
4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)
InChI Key:
LUMJVOCXIGRWEH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ncs2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors. | Bioorganic & medicinal chemistry letters 20080601 |
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