2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C19H24N4OS — CID 11906420

IUPAC2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C19H24N4OS/c1-12-7-6-9-15(11-12)16(22-10-5-4-8-13(22)2)17-18(24)23-19(25-17)20-14(3)21-23/h6-7,9,11,13,16,24H,4-5,8,10H2,1-3H3/t13-,16-/m0/s1
InChIKeyZCMCEJWQDNDFAO-BBRMVZONSA-N
MW356.50 g/mol
LogP4.08
Rot. Bonds3

About 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 11906420) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID11906420
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C19H24N4OS/c1-12-7-6-9-15(11-12)16(22-10-5-4-8-13(22)2)17-18(24)23-19(25-17)20-14(3)21-23/h6-7,9,11,13,16,24H,4-5,8,10H2,1-3H3/t13-,16-/m0/s1
InChIKeyZCMCEJWQDNDFAO-BBRMVZONSA-N
XLogP4.08
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-fluorophenyl)-(2-methylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16815631
2-methyl-5-[(3-methylphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807712
1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(3-methylphenyl)methyl]piperidin-4-one
CID 110381983
2-methyl-5-[(R)-(3-methylphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7198994
5-[(R)-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7199100
5-[(S)-(3-chlorophenyl)-[(3R)-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30880889
5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30483574
5-[(S)-(3-bromophenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30482651
5-[azepan-1-yl(phenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91632958
5-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105262
5-[(R)-(4-benzhydrylpiperazin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675291
5-[(R)-(3-bromophenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30483989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 11906420) is 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is ZCMCEJWQDNDFAO-BBRMVZONSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-12-7-6-9-15(11-12)16(22-10-5-4-8-13(22)2)17-18(24)23-19(25-17)20-14(3)21-23/h6-7,9,11,13,16,24H,4-5,8,10H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 356.50 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(S)-(3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 11906420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).