5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile

C10H10N2S — CID 175187388

IUPAC5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(C2=CCNCC2)s1
InChIInChI=1S/C10H10N2S/c11-7-9-1-2-10(13-9)8-3-5-12-6-4-8/h1-3,12H,4-6H2
InChIKeyJKZSBCYPLARKMM-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.00
Rot. Bonds1

About 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile

5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile (PubChem CID 175187388) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile
PubChem CID175187388
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(C2=CCNCC2)s1
InChIInChI=1S/C10H10N2S/c11-7-9-1-2-10(13-9)8-3-5-12-6-4-8/h1-3,12H,4-6H2
InChIKeyJKZSBCYPLARKMM-UHFFFAOYSA-N
XLogP2.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile (CID 175187388) is 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile is N#Cc1ccc(C2=CCNCC2)s1.
What is the InChIKey of 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile?
The InChIKey is JKZSBCYPLARKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-7-9-1-2-10(13-9)8-3-5-12-6-4-8/h1-3,12H,4-6H2.
What are the key properties of 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile?
5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile has a molecular weight of 190.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 175187388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).