5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C20H18N4OS — CID 3438022

IUPAC5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESOc1c(C(c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12
InChIInChI=1S/C20H18N4OS/c25-19-18(26-20-21-13-22-24(19)20)17(15-7-2-1-3-8-15)23-11-10-14-6-4-5-9-16(14)12-23/h1-9,13,17,25H,10-12H2
InChIKeySQGAXWZVRYTQSD-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.64
Rot. Bonds3

About 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3438022) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3438022
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESOc1c(C(c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12
InChIInChI=1S/C20H18N4OS/c25-19-18(26-20-21-13-22-24(19)20)17(15-7-2-1-3-8-15)23-11-10-14-6-4-5-9-16(14)12-23/h1-9,13,17,25H,10-12H2
InChIKeySQGAXWZVRYTQSD-UHFFFAOYSA-N
XLogP3.64
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol with MolForge

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Related Compounds

5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3543391
5-[(R)-(4-hydroxypiperidin-1-yl)-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148864
5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4092559
5-[(R)-[(3S)-3-methylpiperidin-1-yl]-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 98369897
5-[[4-(4-fluorophenyl)piperazin-1-yl]-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4620190
tert-butyl 4-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperazine-1-carboxylate
CID 91823106
5-[(3-bromophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807810
5-[3,4-dihydro-1H-isoquinolin-2-yl-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 5086602
5-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382139
5-[(S)-(4-phenylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2144931
5-[azepan-1-yl-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382141
5-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148857

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3438022) is 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c(C(c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12.
What is the InChIKey of 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is SQGAXWZVRYTQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-19-18(26-20-21-13-22-24(19)20)17(15-7-2-1-3-8-15)23-11-10-14-6-4-5-9-16(14)12-23/h1-9,13,17,25H,10-12H2.
What are the key properties of 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 362.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3438022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).