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

C19H25N5OS — CID 110382220

IUPAC5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccccc1C(c1sc2ncnn2c1O)N(C)C1CCN(C)CC1
InChIInChI=1S/C19H25N5OS/c1-13-6-4-5-7-15(13)16(23(3)14-8-10-22(2)11-9-14)17-18(25)24-19(26-17)20-12-21-24/h4-7,12,14,16,25H,8-11H2,1-3H3
InChIKeyYDVCAELJNLVYQX-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.92
Rot. Bonds4

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

5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382220) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382220
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccccc1C(c1sc2ncnn2c1O)N(C)C1CCN(C)CC1
InChIInChI=1S/C19H25N5OS/c1-13-6-4-5-7-15(13)16(23(3)14-8-10-22(2)11-9-14)17-18(25)24-19(26-17)20-12-21-24/h4-7,12,14,16,25H,8-11H2,1-3H3
InChIKeyYDVCAELJNLVYQX-UHFFFAOYSA-N
XLogP2.92
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[cyclohexyl(methyl)amino]-(2,3,4-trimethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91821637
5-[(2-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382531
5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 124846406
5-[(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382151
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-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-[(R)-(4-hydroxypiperidin-1-yl)-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148864
5-[(R)-[(3S)-3-methylpiperidin-1-yl]-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 98369897
5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4092559
(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 25293793
5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3543391
5-[(S)-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7172883

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382220) is 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1ccccc1C(c1sc2ncnn2c1O)N(C)C1CCN(C)CC1.
What is the InChIKey of 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is YDVCAELJNLVYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-13-6-4-5-7-15(13)16(23(3)14-8-10-22(2)11-9-14)17-18(25)24-19(26-17)20-12-21-24/h4-7,12,14,16,25H,8-11H2,1-3H3.
What are the key properties of 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 371.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).