1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one

C13H13NOS — CID 102839923

IUPAC1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one
SMILESCc1sccc1C(=O)CCc1ccncc1
InChIInChI=1S/C13H13NOS/c1-10-12(6-9-16-10)13(15)3-2-11-4-7-14-8-5-11/h4-9H,2-3H2,1H3
InChIKeyUEVKTPZAWARJFR-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.27
Rot. Bonds4

About 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one

1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 102839923) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID102839923
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one
SMILESCc1sccc1C(=O)CCc1ccncc1
InChIInChI=1S/C13H13NOS/c1-10-12(6-9-16-10)13(15)3-2-11-4-7-14-8-5-11/h4-9H,2-3H2,1H3
InChIKeyUEVKTPZAWARJFR-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

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Related Compounds

5-amino-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839436
3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
CID 102830655
2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid
CID 113269888
methyl 3-pyridin-4-ylpropanoate
CID 3704115
bis(2-methylthiophen-3-yl)methanone
CID 101441488
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
CID 105085399
3-pyridin-4-ylpropanoyl iodide
CID 171810746
1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one
CID 10684981
4-(2-aminoethyl)-5-methyl-1-(2-methylthiophen-3-yl)hexan-1-one
CID 102839475
1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one (CID 102839923) is 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one is Cc1sccc1C(=O)CCc1ccncc1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is UEVKTPZAWARJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-12(6-9-16-10)13(15)3-2-11-4-7-14-8-5-11/h4-9H,2-3H2,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one?
1-(2-methylthiophen-3-yl)-3-pyridin-4-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-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 102839923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).