2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide

C20H24N6OS — CID 120643773

IUPAC2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3nc(C4CCNCC4)nn3C)cs2)cc1
InChIInChI=1S/C20H24N6OS/c1-13-3-5-15(6-4-13)19-22-16(12-28-19)11-17(27)23-20-24-18(25-26(20)2)14-7-9-21-10-8-14/h3-6,12,14,21H,7-11H2,1-2H3,(H,23,24,25,27)
InChIKeyOVHAYIQZAANMJV-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 120643773) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID120643773
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3nc(C4CCNCC4)nn3C)cs2)cc1
InChIInChI=1S/C20H24N6OS/c1-13-3-5-15(6-4-13)19-22-16(12-28-19)11-17(27)23-20-24-18(25-26(20)2)14-7-9-21-10-8-14/h3-6,12,14,21H,7-11H2,1-2H3,(H,23,24,25,27)
InChIKeyOVHAYIQZAANMJV-UHFFFAOYSA-N
XLogP2.90
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120644231
3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642245
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120644143
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120644142
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 120644530
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 120642674
2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120643916
3-(4-bromothiophen-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643746
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-thiophen-2-ylbutanamide;hydrochloride
CID 120642605
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120644545

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (CID 120643773) is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is Cc1ccc(-c2nc(CC(=O)Nc3nc(C4CCNCC4)nn3C)cs2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is OVHAYIQZAANMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-3-5-15(6-4-13)19-22-16(12-28-19)11-17(27)23-20-24-18(25-26(20)2)14-7-9-21-10-8-14/h3-6,12,14,21H,7-11H2,1-2H3,(H,23,24,25,27).
What are the key properties of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 396.52 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 120643773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).