cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone

C14H13NOS — CID 107586193

IUPACcyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
SMILESCc1cncc(-c2ccc(C(=O)C3CC3)s2)c1
InChIInChI=1S/C14H13NOS/c1-9-6-11(8-15-7-9)12-4-5-13(17-12)14(16)10-2-3-10/h4-8,10H,2-3H2,1H3
InChIKeyOQSKEOLSYCHVHO-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.71
Rot. Bonds3

About cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone

cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone (PubChem CID 107586193) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
PubChem CID107586193
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Namecyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
SMILESCc1cncc(-c2ccc(C(=O)C3CC3)s2)c1
InChIInChI=1S/C14H13NOS/c1-9-6-11(8-15-7-9)12-4-5-13(17-12)14(16)10-2-3-10/h4-8,10H,2-3H2,1H3
InChIKeyOQSKEOLSYCHVHO-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone
CID 63400597
cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
CID 43154050
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone
CID 81266983
[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
CID 43331776
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
5-(5-hydroxy-3-pyridinyl)thiophene-2-carboxylic acid
CID 18801324
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586221
cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone
CID 43808672
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone?
The IUPAC name of cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone (CID 107586193) is cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone is Cc1cncc(-c2ccc(C(=O)C3CC3)s2)c1.
What is the InChIKey of cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone?
The InChIKey is OQSKEOLSYCHVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-6-11(8-15-7-9)12-4-5-13(17-12)14(16)10-2-3-10/h4-8,10H,2-3H2,1H3.
What are the key properties of cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone?
cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone has a molecular weight of 243.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone is sourced from PubChem (CID 107586193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).