2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one

C12H12N2OS — CID 58782152

IUPAC2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H12N2OS/c1-8(2)11(15)12-14-10(7-16-12)9-5-3-4-6-13-9/h3-8H,1-2H3
InChIKeyOKNATOZIOCCEOJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.04
Rot. Bonds3

About 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one

2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 58782152) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
PubChem CID58782152
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H12N2OS/c1-8(2)11(15)12-14-10(7-16-12)9-5-3-4-6-13-9/h3-8H,1-2H3
InChIKeyOKNATOZIOCCEOJ-UHFFFAOYSA-N
XLogP3.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 58782137
N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 83407453
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2,2-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanoic acid
CID 116965801
3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116969262
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965066
1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone
CID 82067010
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621
N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649858
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one (CID 58782152) is 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one is CC(C)C(=O)c1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is OKNATOZIOCCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8(2)11(15)12-14-10(7-16-12)9-5-3-4-6-13-9/h3-8H,1-2H3.
What are the key properties of 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 232.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 58782152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).