2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid

C16H10N4O4S — CID 24757418

IUPAC2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid
SMILESN#Cc1nc(C(=O)NCC(=O)O)c(O)c2nc(-c3ccccc3)sc12
InChIInChI=1S/C16H10N4O4S/c17-6-9-14-11(20-16(25-14)8-4-2-1-3-5-8)13(23)12(19-9)15(24)18-7-10(21)22/h1-5,23H,7H2,(H,18,24)(H,21,22)
InChIKeyLHBBNZXVUKOGSL-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.75
Rot. Bonds4

About 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid

2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid (PubChem CID 24757418) has the molecular formula C16H10N4O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid
PubChem CID24757418
Molecular FormulaC16H10N4O4S
Molecular Weight354.35 g/mol
Exact Mass354.04
IUPAC Name2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid
SMILESN#Cc1nc(C(=O)NCC(=O)O)c(O)c2nc(-c3ccccc3)sc12
InChIInChI=1S/C16H10N4O4S/c17-6-9-14-11(20-16(25-14)8-4-2-1-3-5-8)13(23)12(19-9)15(24)18-7-10(21)22/h1-5,23H,7H2,(H,18,24)(H,21,22)
InChIKeyLHBBNZXVUKOGSL-UHFFFAOYSA-N
XLogP1.75
TPSA136.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid (CID 24757418) is 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid is N#Cc1nc(C(=O)NCC(=O)O)c(O)c2nc(-c3ccccc3)sc12.
What is the InChIKey of 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid?
The InChIKey is LHBBNZXVUKOGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O4S/c17-6-9-14-11(20-16(25-14)8-4-2-1-3-5-8)13(23)12(19-9)15(24)18-7-10(21)22/h1-5,23H,7H2,(H,18,24)(H,21,22).
What are the key properties of 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid?
2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid has a molecular weight of 354.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 24757418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).