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

C18H15N3O4S — CID 162731674

IUPAC2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C18H15N3O4S/c1-10-12(7-19-15(16(10)24)17(25)20-9-14(22)23)13-8-21-18(26-13)11-5-3-2-4-6-11/h2-8,24H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyBHIRGYDDAGFULU-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.70
Rot. Bonds5

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

2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731674) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731674
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C18H15N3O4S/c1-10-12(7-19-15(16(10)24)17(25)20-9-14(22)23)13-8-21-18(26-13)11-5-3-2-4-6-11/h2-8,24H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyBHIRGYDDAGFULU-UHFFFAOYSA-N
XLogP2.70
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid (CID 162731674) is 2-[[3-hydroxy-4-methyl-5-(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-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is BHIRGYDDAGFULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-10-12(7-19-15(16(10)24)17(25)20-9-14(22)23)13-8-21-18(26-13)11-5-3-2-4-6-11/h2-8,24H,9H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 369.40 g/mol, XLogP of 2.70, 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-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).