5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H17NS — CID 3041293

IUPAC5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccccc1CN1CCc2sccc2C1
InChIInChI=1S/C15H17NS/c1-12-4-2-3-5-13(12)10-16-8-6-15-14(11-16)7-9-17-15/h2-5,7,9H,6,8,10-11H2,1H3
InChIKeyMQZTYXPSOUASNZ-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.61
Rot. Bonds2

About 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 3041293) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID3041293
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccccc1CN1CCc2sccc2C1
InChIInChI=1S/C15H17NS/c1-12-4-2-3-5-13(12)10-16-8-6-15-14(11-16)7-9-17-15/h2-5,7,9H,6,8,10-11H2,1H3
InChIKeyMQZTYXPSOUASNZ-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 3041293) is 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1ccccc1CN1CCc2sccc2C1.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is MQZTYXPSOUASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12-4-2-3-5-13(12)10-16-8-6-15-14(11-16)7-9-17-15/h2-5,7,9H,6,8,10-11H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 243.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 3041293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).