1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one

C12H12N2OS — CID 82289672

IUPAC1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
SMILESCC(=O)Cc1sc(-c2cccnc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8(15)6-11-9(2)14-12(16-11)10-4-3-5-13-7-10/h3-5,7H,6H2,1-2H3
InChIKeyWABBVOCEZUPNEU-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.65
Rot. Bonds3

About 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one

1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one (PubChem CID 82289672) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
PubChem CID82289672
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
SMILESCC(=O)Cc1sc(-c2cccnc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8(15)6-11-9(2)14-12(16-11)10-4-3-5-13-7-10/h3-5,7H,6H2,1-2H3
InChIKeyWABBVOCEZUPNEU-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329127
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
CID 110395265
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-1H-indole-6-carboxamide
CID 121122278

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one (CID 82289672) is 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one is CC(=O)Cc1sc(-c2cccnc2)nc1C.
What is the InChIKey of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one?
The InChIKey is WABBVOCEZUPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8(15)6-11-9(2)14-12(16-11)10-4-3-5-13-7-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one?
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one has a molecular weight of 232.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 82289672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).