4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid

C17H12N2O3S — CID 110447711

IUPAC4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H12N2O3S/c1-10(20)15-14(11-2-4-13(5-3-11)17(21)22)19-16(23-15)12-6-8-18-9-7-12/h2-9H,1H3,(H,21,22)
InChIKeyRXLIZELKKVYXDV-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.77
Rot. Bonds4

About 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid

4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid (PubChem CID 110447711) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
PubChem CID110447711
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H12N2O3S/c1-10(20)15-14(11-2-4-13(5-3-11)17(21)22)19-16(23-15)12-6-8-18-9-7-12/h2-9H,1H3,(H,21,22)
InChIKeyRXLIZELKKVYXDV-UHFFFAOYSA-N
XLogP3.77
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541304
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone
CID 82541342
1-[4-(3-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541280
1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 82438655
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
CID 6421436
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 13351514

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid (CID 110447711) is 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid is CC(=O)c1sc(-c2ccncc2)nc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is RXLIZELKKVYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c1-10(20)15-14(11-2-4-13(5-3-11)17(21)22)19-16(23-15)12-6-8-18-9-7-12/h2-9H,1H3,(H,21,22).
What are the key properties of 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid?
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 324.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 110447711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).