5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H15N5S — CID 60520840

IUPAC5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(-n2nnnc2N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H15N5S/c1-11-2-4-13(5-3-11)20-15(16-17-18-20)19-8-6-14-12(10-19)7-9-21-14/h2-5,7,9H,6,8,10H2,1H3
InChIKeySMHJPFJZWAQKOA-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.59
Rot. Bonds2

About 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 60520840) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID60520840
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(-n2nnnc2N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H15N5S/c1-11-2-4-13(5-3-11)20-15(16-17-18-20)19-8-6-14-12(10-19)7-9-21-14/h2-5,7,9H,6,8,10H2,1H3
InChIKeySMHJPFJZWAQKOA-UHFFFAOYSA-N
XLogP2.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 60520840) is 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1ccc(-n2nnnc2N2CCc3sccc3C2)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is SMHJPFJZWAQKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-11-2-4-13(5-3-11)20-15(16-17-18-20)19-8-6-14-12(10-19)7-9-21-14/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 297.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)tetrazol-5-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 60520840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).