2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone

C16H12N2OS — CID 112731528

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1cccnc1
InChIInChI=1S/C16H12N2OS/c19-15(13-7-4-8-17-10-13)9-16-18-14(11-20-16)12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyHURFQBZCJUMMFZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone

2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone (PubChem CID 112731528) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
PubChem CID112731528
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1cccnc1
InChIInChI=1S/C16H12N2OS/c19-15(13-7-4-8-17-10-13)9-16-18-14(11-20-16)12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyHURFQBZCJUMMFZ-UHFFFAOYSA-N
XLogP3.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 112731541
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone
CID 82067010
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 102802826
2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116968758
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone (CID 112731528) is 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone is O=C(Cc1nc(-c2ccccc2)cs1)c1cccnc1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone?
The InChIKey is HURFQBZCJUMMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-15(13-7-4-8-17-10-13)9-16-18-14(11-20-16)12-5-2-1-3-6-12/h1-8,10-11H,9H2.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone?
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone has a molecular weight of 280.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 112731528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).