2-(5-methylthiophen-3-yl)-2,3-dihydropyridine

C10H11NS — CID 143245934

IUPAC2-(5-methylthiophen-3-yl)-2,3-dihydropyridine
SMILESCc1cc(C2CC=CC=N2)cs1
InChIInChI=1S/C10H11NS/c1-8-6-9(7-12-8)10-4-2-3-5-11-10/h2-3,5-7,10H,4H2,1H3
InChIKeyLWPXDFSZGUUVEV-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.13
Rot. Bonds1

About 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine

2-(5-methylthiophen-3-yl)-2,3-dihydropyridine (PubChem CID 143245934) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(5-methylthiophen-3-yl)-2,3-dihydropyridine
PubChem CID143245934
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-(5-methylthiophen-3-yl)-2,3-dihydropyridine
SMILESCc1cc(C2CC=CC=N2)cs1
InChIInChI=1S/C10H11NS/c1-8-6-9(7-12-8)10-4-2-3-5-11-10/h2-3,5-7,10H,4H2,1H3
InChIKeyLWPXDFSZGUUVEV-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine?
The IUPAC name of 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine (CID 143245934) is 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine?
The canonical SMILES for 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine is Cc1cc(C2CC=CC=N2)cs1.
What is the InChIKey of 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine?
The InChIKey is LWPXDFSZGUUVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-8-6-9(7-12-8)10-4-2-3-5-11-10/h2-3,5-7,10H,4H2,1H3.
What are the key properties of 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine?
2-(5-methylthiophen-3-yl)-2,3-dihydropyridine has a molecular weight of 177.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-3-yl)-2,3-dihydropyridine is sourced from PubChem (CID 143245934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).