5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C17H18N6OS — CID 124846406

IUPAC5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCN(Cc1ccccc1)[C@H](c1cnn(C)c1)c1sc2ncnn2c1O
InChIInChI=1S/C17H18N6OS/c1-21(9-12-6-4-3-5-7-12)14(13-8-19-22(2)10-13)15-16(24)23-17(25-15)18-11-20-23/h3-8,10-11,14,24H,9H2,1-2H3/t14-/m1/s1
InChIKeyISOQGCUEUQYODN-CQSZACIVSA-N
MW354.44 g/mol
LogP2.45
Rot. Bonds5

About 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 124846406) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID124846406
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCN(Cc1ccccc1)[C@H](c1cnn(C)c1)c1sc2ncnn2c1O
InChIInChI=1S/C17H18N6OS/c1-21(9-12-6-4-3-5-7-12)14(13-8-19-22(2)10-13)15-16(24)23-17(25-15)18-11-20-23/h3-8,10-11,14,24H,9H2,1-2H3/t14-/m1/s1
InChIKeyISOQGCUEUQYODN-CQSZACIVSA-N
XLogP2.45
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148857
5-[(R)-(4-benzylpiperazin-1-yl)-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148912
5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382220
5-[[benzyl(methyl)amino]-(2-chlorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807634
5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3543391
5-[(R)-(4-benzylpiperidin-1-yl)-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2049644
5-[(2-ethoxy-3-methoxyphenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381627
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95772431
N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 97230507
5-[(R)-(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148989
5-[(4-ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 6359573
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 124846406) is 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CN(Cc1ccccc1)[C@H](c1cnn(C)c1)c1sc2ncnn2c1O.
What is the InChIKey of 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is ISOQGCUEUQYODN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-21(9-12-6-4-3-5-7-12)14(13-8-19-22(2)10-13)15-16(24)23-17(25-15)18-11-20-23/h3-8,10-11,14,24H,9H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 354.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 124846406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).