4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C14H15NS — CID 42773357

IUPAC4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C14H15NS/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3
InChIKeyXWIVMJSKELKHKK-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.29
Rot. Bonds1

About 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 42773357) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID42773357
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C14H15NS/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3
InChIKeyXWIVMJSKELKHKK-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 42773357) is 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Cc1ccc(C2NCCc3sccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is XWIVMJSKELKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3.
What are the key properties of 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 229.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 42773357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).