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

C19H24N4OS — CID 3575128

IUPAC5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc(C(c2sc3ncnn3c2O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C19H24N4OS/c1-12-4-6-15(7-5-12)16(22-9-13(2)8-14(3)10-22)17-18(24)23-19(25-17)20-11-21-23/h4-7,11,13-14,16,24H,8-10H2,1-3H3
InChIKeyQSFMLTRNMJEJIR-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.87
Rot. Bonds3

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

5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3575128) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3575128
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc(C(c2sc3ncnn3c2O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C19H24N4OS/c1-12-4-6-15(7-5-12)16(22-9-13(2)8-14(3)10-22)17-18(24)23-19(25-17)20-11-21-23/h4-7,11,13-14,16,24H,8-10H2,1-3H3
InChIKeyQSFMLTRNMJEJIR-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3575128) is 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1ccc(C(c2sc3ncnn3c2O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is QSFMLTRNMJEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-12-4-6-15(7-5-12)16(22-9-13(2)8-14(3)10-22)17-18(24)23-19(25-17)20-11-21-23/h4-7,11,13-14,16,24H,8-10H2,1-3H3.
What are the key properties of 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 356.50 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3575128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).