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

C11H10N2OS — CID 112731545

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
SMILESCc1csc(CC(=O)c2ccncc2)n1
InChIInChI=1S/C11H10N2OS/c1-8-7-15-11(13-8)6-10(14)9-2-4-12-5-3-9/h2-5,7H,6H2,1H3
InChIKeyGCOCWYRSLRHAEQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.27
Rot. Bonds3

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

2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone (PubChem CID 112731545) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
PubChem CID112731545
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
SMILESCc1csc(CC(=O)c2ccncc2)n1
InChIInChI=1S/C11H10N2OS/c1-8-7-15-11(13-8)6-10(14)9-2-4-12-5-3-9/h2-5,7H,6H2,1H3
InChIKeyGCOCWYRSLRHAEQ-UHFFFAOYSA-N
XLogP2.27
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 63948149
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103
1-(5-bromo-3-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 112731549
CID 131842856
CID 131842856
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
1-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789307
1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 104770850
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone (CID 112731545) is 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone is Cc1csc(CC(=O)c2ccncc2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone?
The InChIKey is GCOCWYRSLRHAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8-7-15-11(13-8)6-10(14)9-2-4-12-5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone?
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone has a molecular weight of 218.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 112731545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).