2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

C17H13N3O3S — CID 66855662

IUPAC2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3)c(C(=O)O)s2)ccn1
InChIInChI=1S/C17H13N3O3S/c1-10(21)19-13-9-12(7-8-18-13)16-20-14(15(24-16)17(22)23)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23)(H,18,19,21)
InChIKeyFXPZYYSGDKJULT-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.53
Rot. Bonds4

About 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 66855662) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID66855662
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3)c(C(=O)O)s2)ccn1
InChIInChI=1S/C17H13N3O3S/c1-10(21)19-13-9-12(7-8-18-13)16-20-14(15(24-16)17(22)23)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23)(H,18,19,21)
InChIKeyFXPZYYSGDKJULT-UHFFFAOYSA-N
XLogP3.53
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic 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-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 66855662) is 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is CC(=O)Nc1cc(-c2nc(-c3ccccc3)c(C(=O)O)s2)ccn1.
What is the InChIKey of 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FXPZYYSGDKJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-10(21)19-13-9-12(7-8-18-13)16-20-14(15(24-16)17(22)23)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23)(H,18,19,21).
What are the key properties of 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 339.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66855662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).