2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid

C19H17N3O4S — CID 162731563

IUPAC2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1nc(-c2ccccc2)sc1-c1cnc(C(=O)NCC(=O)O)c(O)c1C
InChIInChI=1S/C19H17N3O4S/c1-10-13(8-20-15(16(10)25)18(26)21-9-14(23)24)17-11(2)22-19(27-17)12-6-4-3-5-7-12/h3-8,25H,9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeySFGZDSAMNUBPEB-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.01
Rot. Bonds5

About 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731563) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731563
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1nc(-c2ccccc2)sc1-c1cnc(C(=O)NCC(=O)O)c(O)c1C
InChIInChI=1S/C19H17N3O4S/c1-10-13(8-20-15(16(10)25)18(26)21-9-14(23)24)17-11(2)22-19(27-17)12-6-4-3-5-7-12/h3-8,25H,9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeySFGZDSAMNUBPEB-UHFFFAOYSA-N
XLogP3.01
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid (CID 162731563) is 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid is Cc1nc(-c2ccccc2)sc1-c1cnc(C(=O)NCC(=O)O)c(O)c1C.
What is the InChIKey of 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is SFGZDSAMNUBPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-10-13(8-20-15(16(10)25)18(26)21-9-14(23)24)17-11(2)22-19(27-17)12-6-4-3-5-7-12/h3-8,25H,9H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 383.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).