4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine

C11H15NS — CID 178037057

IUPAC4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1=C(c2cscc2C)CNCC1
InChIInChI=1S/C11H15NS/c1-8-3-4-12-5-10(8)11-7-13-6-9(11)2/h6-7,12H,3-5H2,1-2H3
InChIKeyJFIIWWWQLBZXNZ-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.82
Rot. Bonds1

About 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine

4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 178037057) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID178037057
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1=C(c2cscc2C)CNCC1
InChIInChI=1S/C11H15NS/c1-8-3-4-12-5-10(8)11-7-13-6-9(11)2/h6-7,12H,3-5H2,1-2H3
InChIKeyJFIIWWWQLBZXNZ-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine (CID 178037057) is 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine is CC1=C(c2cscc2C)CNCC1.
What is the InChIKey of 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is JFIIWWWQLBZXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-3-4-12-5-10(8)11-7-13-6-9(11)2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine?
4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 193.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 178037057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).