5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

C15H14N4S — CID 62732646

IUPAC5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1csc(-c2nc(-c3cccc4c3CCCN4)n[nH]2)c1
InChIInChI=1S/C15H14N4S/c1-4-11(10-5-2-8-16-12(10)6-1)14-17-15(19-18-14)13-7-3-9-20-13/h1,3-4,6-7,9,16H,2,5,8H2,(H,17,18,19)
InChIKeyPSNDQDUROHXIKT-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.56
Rot. Bonds2

About 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 62732646) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID62732646
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1csc(-c2nc(-c3cccc4c3CCCN4)n[nH]2)c1
InChIInChI=1S/C15H14N4S/c1-4-11(10-5-2-8-16-12(10)6-1)14-17-15(19-18-14)13-7-3-9-20-13/h1,3-4,6-7,9,16H,2,5,8H2,(H,17,18,19)
InChIKeyPSNDQDUROHXIKT-UHFFFAOYSA-N
XLogP3.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 62732646) is 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is c1csc(-c2nc(-c3cccc4c3CCCN4)n[nH]2)c1.
What is the InChIKey of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is PSNDQDUROHXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-4-11(10-5-2-8-16-12(10)6-1)14-17-15(19-18-14)13-7-3-9-20-13/h1,3-4,6-7,9,16H,2,5,8H2,(H,17,18,19).
What are the key properties of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 282.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62732646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).