4-thiophen-3-yl-2,5-dihydropyridine

C9H9NS — CID 122429670

IUPAC4-thiophen-3-yl-2,5-dihydropyridine
SMILESC1=NCC=C(c2ccsc2)C1
InChIInChI=1S/C9H9NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1,3,5-7H,2,4H2
InChIKeyLZVIGPOAGZFQPV-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.61
Rot. Bonds1

About 4-thiophen-3-yl-2,5-dihydropyridine

4-thiophen-3-yl-2,5-dihydropyridine (PubChem CID 122429670) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 4-thiophen-3-yl-2,5-dihydropyridine.

Molecular Properties

Compound Name4-thiophen-3-yl-2,5-dihydropyridine
PubChem CID122429670
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name4-thiophen-3-yl-2,5-dihydropyridine
SMILESC1=NCC=C(c2ccsc2)C1
InChIInChI=1S/C9H9NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1,3,5-7H,2,4H2
InChIKeyLZVIGPOAGZFQPV-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-thiophen-3-ylphenol
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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-2,5-dihydropyridine?
The IUPAC name of 4-thiophen-3-yl-2,5-dihydropyridine (CID 122429670) is 4-thiophen-3-yl-2,5-dihydropyridine.
What is the SMILES notation for 4-thiophen-3-yl-2,5-dihydropyridine?
The canonical SMILES for 4-thiophen-3-yl-2,5-dihydropyridine is C1=NCC=C(c2ccsc2)C1.
What is the InChIKey of 4-thiophen-3-yl-2,5-dihydropyridine?
The InChIKey is LZVIGPOAGZFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1,3,5-7H,2,4H2.
What are the key properties of 4-thiophen-3-yl-2,5-dihydropyridine?
4-thiophen-3-yl-2,5-dihydropyridine has a molecular weight of 163.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-2,5-dihydropyridine is sourced from PubChem (CID 122429670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).