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

C16H25N7OS — CID 120998243

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(CN(C)CC(=O)Nc2ncc(C3CCNCC3)s2)n1C
InChIInChI=1S/C16H25N7OS/c1-11-20-21-14(23(11)3)9-22(2)10-15(24)19-16-18-8-13(25-16)12-4-6-17-7-5-12/h8,12,17H,4-7,9-10H2,1-3H3,(H,18,19,24)
InChIKeyULELEOQUAOLUOM-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.12
Rot. Bonds6

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

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 120998243) has the molecular formula C16H25N7OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID120998243
Molecular FormulaC16H25N7OS
Molecular Weight363.49 g/mol
Exact Mass363.18
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(CN(C)CC(=O)Nc2ncc(C3CCNCC3)s2)n1C
InChIInChI=1S/C16H25N7OS/c1-11-20-21-14(23(11)3)9-22(2)10-15(24)19-16-18-8-13(25-16)12-4-6-17-7-5-12/h8,12,17H,4-7,9-10H2,1-3H3,(H,18,19,24)
InChIKeyULELEOQUAOLUOM-UHFFFAOYSA-N
XLogP1.12
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998569
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120998386
N-[2-oxo-2-[(5-piperidin-4-yl-1,3-thiazol-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 120998369
2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120998441
6-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 120998297
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
CID 71866846
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998421
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]ethanone
CID 124590115
4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
CID 120998638
4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide
CID 120998241
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120998349

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide (CID 120998243) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide is Cc1nnc(CN(C)CC(=O)Nc2ncc(C3CCNCC3)s2)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ULELEOQUAOLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7OS/c1-11-20-21-14(23(11)3)9-22(2)10-15(24)19-16-18-8-13(25-16)12-4-6-17-7-5-12/h8,12,17H,4-7,9-10H2,1-3H3,(H,18,19,24).
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 363.49 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 120998243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).