1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

C10H8N2OS — CID 22888692

IUPAC1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C10H8N2OS/c1-7(13)9-6-14-10(12-9)8-3-2-4-11-5-8/h2-6H,1H3
InChIKeyCDZCFGCAFURXRP-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.41
Rot. Bonds2

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

1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 22888692) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID22888692
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C10H8N2OS/c1-7(13)9-6-14-10(12-9)8-3-2-4-11-5-8/h2-6H,1H3
InChIKeyCDZCFGCAFURXRP-UHFFFAOYSA-N
XLogP2.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
CID 604918
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 155961799
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
S-(methylamino) N-amino-N-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)carbamothioate
CID 21148157
morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
1-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3806511
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
N-(2,3-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110651203

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (CID 22888692) is 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is CDZCFGCAFURXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-7(13)9-6-14-10(12-9)8-3-2-4-11-5-8/h2-6H,1H3.
What are the key properties of 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 204.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 22888692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).