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

C19H25N4OS+ — CID 7198994

IUPAC2-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
SMILESCc1cccc([C@H](c2sc3nc(C)nn3c2O)[NH+]2CCC[C@H](C)C2)c1
InChIInChI=1S/C19H24N4OS/c1-12-6-4-8-15(10-12)16(22-9-5-7-13(2)11-22)17-18(24)23-19(25-17)20-14(3)21-23/h4,6,8,10,13,16,24H,5,7,9,11H2,1-3H3/p+1/t13-,16+/m0/s1
InChIKeyOWEOZWPOVTUCPZ-XJKSGUPXSA-O
MW357.50 g/mol
LogP2.52
Rot. Bonds3

About 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

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 (PubChem CID 7198994) has the molecular formula C19H25N4OS+ and a molecular weight of 357.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID7198994
Molecular FormulaC19H25N4OS+
Molecular Weight357.50 g/mol
Exact Mass357.17
IUPAC Name2-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
SMILESCc1cccc([C@H](c2sc3nc(C)nn3c2O)[NH+]2CCC[C@H](C)C2)c1
InChIInChI=1S/C19H24N4OS/c1-12-6-4-8-15(10-12)16(22-9-5-7-13(2)11-22)17-18(24)23-19(25-17)20-14(3)21-23/h4,6,8,10,13,16,24H,5,7,9,11H2,1-3H3/p+1/t13-,16+/m0/s1
InChIKeyOWEOZWPOVTUCPZ-XJKSGUPXSA-O
XLogP2.52
TPSA54.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-(3,4-dimethoxyphenyl)-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7104915
5-[(R)-1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7199137
2-methyl-5-[(R)-phenyl(piperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7104709
5-[(S)-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-(4-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105023
5-[(S)-(3,4-dimethoxyphenyl)-piperidin-1-ium-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7104899
5-[(S)-(4-hydroxypiperidin-1-ium-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7099188
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
1-[(R)-(3-fluorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxamide
CID 7105065
1-[(R)-(3-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-1-ium-4-carboxamide
CID 7105225
5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-(3-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105303
5-[(S)-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-(4-ethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7199105

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc([C@H](c2sc3nc(C)nn3c2O)[NH+]2CCC[C@H](C)C2)c1.
What is the InChIKey of 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?
The InChIKey is OWEOZWPOVTUCPZ-XJKSGUPXSA-O. The full InChI is InChI=1S/C19H24N4OS/c1-12-6-4-8-15(10-12)16(22-9-5-7-13(2)11-22)17-18(24)23-19(25-17)20-14(3)21-23/h4,6,8,10,13,16,24H,5,7,9,11H2,1-3H3/p+1/t13-,16+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 357.50 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 7198994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).