ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine

C12H17NS — CID 142094444

IUPACethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine
SMILESCC.Cc1cc(C2C=CN=CC2)cs1
InChIInChI=1S/C10H11NS.C2H6/c1-8-6-10(7-12-8)9-2-4-11-5-3-9;1-2/h2,4-7,9H,3H2,1H3;1-2H3
InChIKeyFLZHZBJZBAZVPJ-UHFFFAOYSA-N
MW207.34 g/mol
LogP4.15
Rot. Bonds1

About ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine

ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine (PubChem CID 142094444) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine
PubChem CID142094444
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Nameethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine
SMILESCC.Cc1cc(C2C=CN=CC2)cs1
InChIInChI=1S/C10H11NS.C2H6/c1-8-6-10(7-12-8)9-2-4-11-5-3-9;1-2/h2,4-7,9H,3H2,1H3;1-2H3
InChIKeyFLZHZBJZBAZVPJ-UHFFFAOYSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine?
The IUPAC name of ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine (CID 142094444) is ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine.
What is the SMILES notation for ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine?
The canonical SMILES for ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine is CC.Cc1cc(C2C=CN=CC2)cs1.
What is the InChIKey of ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine?
The InChIKey is FLZHZBJZBAZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C2H6/c1-8-6-10(7-12-8)9-2-4-11-5-3-9;1-2/h2,4-7,9H,3H2,1H3;1-2H3.
What are the key properties of ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine?
ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine has a molecular weight of 207.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine is sourced from PubChem (CID 142094444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).