1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone

C17H14N2OS — CID 82541304

IUPAC1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C17H14N2OS/c1-11-3-5-13(6-4-11)15-16(12(2)20)21-17(19-15)14-7-9-18-10-8-14/h3-10H,1-2H3
InChIKeyGUESONIHXPSFMH-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.38
Rot. Bonds3

About 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone

1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 82541304) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
PubChem CID82541304
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C17H14N2OS/c1-11-3-5-13(6-4-11)15-16(12(2)20)21-17(19-15)14-7-9-18-10-8-14/h3-10H,1-2H3
InChIKeyGUESONIHXPSFMH-UHFFFAOYSA-N
XLogP4.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
CID 110447711
1-[4-(3-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541280
1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone
CID 82541342
1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 82438655
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
4-(3-amino-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227042
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
4-(4-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11184721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone (CID 82541304) is 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccncc2)nc1-c1ccc(C)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is GUESONIHXPSFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-11-3-5-13(6-4-11)15-16(12(2)20)21-17(19-15)14-7-9-18-10-8-14/h3-10H,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 294.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82541304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).