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

C15H14N4S — CID 106903185

IUPAC3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1csc(-c2n[nH]c(C3CNc4ccccc4C3)n2)c1
InChIInChI=1S/C15H14N4S/c1-2-5-12-10(4-1)8-11(9-16-12)14-17-15(19-18-14)13-6-3-7-20-13/h1-7,11,16H,8-9H2,(H,17,18,19)
InChIKeyLBSLEHRSJCXRPO-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.29
Rot. Bonds2

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

3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106903185) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106903185
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1csc(-c2n[nH]c(C3CNc4ccccc4C3)n2)c1
InChIInChI=1S/C15H14N4S/c1-2-5-12-10(4-1)8-11(9-16-12)14-17-15(19-18-14)13-6-3-7-20-13/h1-7,11,16H,8-9H2,(H,17,18,19)
InChIKeyLBSLEHRSJCXRPO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
CID 61337137
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
5-(oxan-4-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62906912
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903175
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)azocane
CID 114239965
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902657
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43097684
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392973
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106903170

Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline (CID 106903185) is 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline is c1csc(-c2n[nH]c(C3CNc4ccccc4C3)n2)c1.
What is the InChIKey of 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LBSLEHRSJCXRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-2-5-12-10(4-1)8-11(9-16-12)14-17-15(19-18-14)13-6-3-7-20-13/h1-7,11,16H,8-9H2,(H,17,18,19).
What are the key properties of 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline?
3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 282.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106903185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).