6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile

C14H12N2S2 — CID 3244032

IUPAC6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCSc1nc(C2CC2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C14H12N2S2/c1-17-14-11(8-15)10(13-3-2-6-18-13)7-12(16-14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3
InChIKeyBICGMKDMXAGMLT-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.28
Rot. Bonds3

About 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile

6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 3244032) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID3244032
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCSc1nc(C2CC2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C14H12N2S2/c1-17-14-11(8-15)10(13-3-2-6-18-13)7-12(16-14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3
InChIKeyBICGMKDMXAGMLT-UHFFFAOYSA-N
XLogP4.28
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 3244032) is 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile is CSc1nc(C2CC2)cc(-c2cccs2)c1C#N.
What is the InChIKey of 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is BICGMKDMXAGMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-17-14-11(8-15)10(13-3-2-6-18-13)7-12(16-14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile?
6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 3244032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).