N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C24H28N4OS — CID 8596103

IUPACN-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2CCN(Cc3ccccc3C)CC2)cs1
InChIInChI=1S/C24H28N4OS/c1-19-8-6-7-9-21(19)16-26-12-14-27(15-13-26)17-22-18-30-24(25-22)28(20(2)29)23-10-4-3-5-11-23/h3-11,18H,12-17H2,1-2H3
InChIKeyXUVOUZAGDFVDLA-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 8596103) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID8596103
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2CCN(Cc3ccccc3C)CC2)cs1
InChIInChI=1S/C24H28N4OS/c1-19-8-6-7-9-21(19)16-26-12-14-27(15-13-26)17-22-18-30-24(25-22)28(20(2)29)23-10-4-3-5-11-23/h3-11,18H,12-17H2,1-2H3
InChIKeyXUVOUZAGDFVDLA-UHFFFAOYSA-N
XLogP4.45
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 17443677
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-[4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986998
N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24616995
N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817352
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 47524748
N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16610630
ethyl 1-[[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 8772824
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
N-(2-ethylphenyl)-N-[4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78815757
N-[4-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 40986377

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 8596103) is N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(CN2CCN(Cc3ccccc3C)CC2)cs1.
What is the InChIKey of N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is XUVOUZAGDFVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-19-8-6-7-9-21(19)16-26-12-14-27(15-13-26)17-22-18-30-24(25-22)28(20(2)29)23-10-4-3-5-11-23/h3-11,18H,12-17H2,1-2H3.
What are the key properties of N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 420.58 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 8596103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).