1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one

C13H13NOS — CID 105099908

IUPAC1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
SMILESCc1cncc(C(=O)CCc2ccsc2)c1
InChIInChI=1S/C13H13NOS/c1-10-6-12(8-14-7-10)13(15)3-2-11-4-5-16-9-11/h4-9H,2-3H2,1H3
InChIKeyATIVCLNCMYETDF-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.27
Rot. Bonds4

About 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one

1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 105099908) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
PubChem CID105099908
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
SMILESCc1cncc(C(=O)CCc2ccsc2)c1
InChIInChI=1S/C13H13NOS/c1-10-6-12(8-14-7-10)13(15)3-2-11-4-5-16-9-11/h4-9H,2-3H2,1H3
InChIKeyATIVCLNCMYETDF-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
CID 105091097
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
CID 105103302
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one (CID 105099908) is 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one is Cc1cncc(C(=O)CCc2ccsc2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is ATIVCLNCMYETDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-6-12(8-14-7-10)13(15)3-2-11-4-5-16-9-11/h4-9H,2-3H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one?
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 105099908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).