4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid

C16H14N2O3S — CID 68618096

IUPAC4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid
SMILESCC1=CSC(C(=O)O)(n2ccc(-c3ccccc3)cc2=O)N1
InChIInChI=1S/C16H14N2O3S/c1-11-10-22-16(17-11,15(20)21)18-8-7-13(9-14(18)19)12-5-3-2-4-6-12/h2-10,17H,1H3,(H,20,21)
InChIKeyBFPOWHWVCQZOTD-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid

4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid (PubChem CID 68618096) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid
PubChem CID68618096
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid
SMILESCC1=CSC(C(=O)O)(n2ccc(-c3ccccc3)cc2=O)N1
InChIInChI=1S/C16H14N2O3S/c1-11-10-22-16(17-11,15(20)21)18-8-7-13(9-14(18)19)12-5-3-2-4-6-12/h2-10,17H,1H3,(H,20,21)
InChIKeyBFPOWHWVCQZOTD-UHFFFAOYSA-N
XLogP2.41
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid (CID 68618096) is 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid is CC1=CSC(C(=O)O)(n2ccc(-c3ccccc3)cc2=O)N1.
What is the InChIKey of 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid?
The InChIKey is BFPOWHWVCQZOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-11-10-22-16(17-11,15(20)21)18-8-7-13(9-14(18)19)12-5-3-2-4-6-12/h2-10,17H,1H3,(H,20,21).
What are the key properties of 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid?
4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-3H-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 68618096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).