1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone

C11H10N2OS — CID 79823558

IUPAC1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1ccnc(C(=O)Cc2nccs2)c1
InChIInChI=1S/C11H10N2OS/c1-8-2-3-12-9(6-8)10(14)7-11-13-4-5-15-11/h2-6H,7H2,1H3
InChIKeyLVNKDBRLBNHSSG-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.27
Rot. Bonds3

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

1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 79823558) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID79823558
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1ccnc(C(=O)Cc2nccs2)c1
InChIInChI=1S/C11H10N2OS/c1-8-2-3-12-9(6-8)10(14)7-11-13-4-5-15-11/h2-6H,7H2,1H3
InChIKeyLVNKDBRLBNHSSG-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-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63840069
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79820339
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825110
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
1-(4-methyl-2-pyridinyl)but-3-en-1-one
CID 63839400
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
1-(4-methyl-2-pyridinyl)hexan-1-one
CID 63841215
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (CID 79823558) is 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is Cc1ccnc(C(=O)Cc2nccs2)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is LVNKDBRLBNHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8-2-3-12-9(6-8)10(14)7-11-13-4-5-15-11/h2-6H,7H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone 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 1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 79823558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).