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

C13H19N7OS — CID 146139380

IUPACN-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCN(c3n[nH]c(C)n3)CC2)cs1
InChIInChI=1S/C13H19N7OS/c1-9-14-12(18-17-9)20-5-3-19(4-6-20)7-11-8-22-13(16-11)15-10(2)21/h8H,3-7H2,1-2H3,(H,14,17,18)(H,15,16,21)
InChIKeyYPNQLUAAQPYHCC-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.85
Rot. Bonds4

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

N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146139380) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146139380
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCN(c3n[nH]c(C)n3)CC2)cs1
InChIInChI=1S/C13H19N7OS/c1-9-14-12(18-17-9)20-5-3-19(4-6-20)7-11-8-22-13(16-11)15-10(2)21/h8H,3-7H2,1-2H3,(H,14,17,18)(H,15,16,21)
InChIKeyYPNQLUAAQPYHCC-UHFFFAOYSA-N
XLogP0.85
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide 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

2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309
N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119924458
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
1-[4-[4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 91836525
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 31629348
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
N-[4-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86773551
N-[4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95333136

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146139380) is N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCN(c3n[nH]c(C)n3)CC2)cs1.
What is the InChIKey of N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YPNQLUAAQPYHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-9-14-12(18-17-9)20-5-3-19(4-6-20)7-11-8-22-13(16-11)15-10(2)21/h8H,3-7H2,1-2H3,(H,14,17,18)(H,15,16,21).
What are the key properties of N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 321.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146139380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).