4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide

C20H26N4O2S — CID 154742123

IUPAC4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
SMILESCC(C)Cc1nc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cs1
InChIInChI=1S/C20H26N4O2S/c1-14(2)11-18-22-17(13-27-18)20(26)24-9-7-23(8-10-24)12-15-3-5-16(6-4-15)19(21)25/h3-6,13-14H,7-12H2,1-2H3,(H2,21,25)
InChIKeyFQJQQCXSWFNSBU-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.40
Rot. Bonds6

About 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide

4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide (PubChem CID 154742123) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
PubChem CID154742123
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
SMILESCC(C)Cc1nc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cs1
InChIInChI=1S/C20H26N4O2S/c1-14(2)11-18-22-17(13-27-18)20(26)24-9-7-23(8-10-24)12-15-3-5-16(6-4-15)19(21)25/h3-6,13-14H,7-12H2,1-2H3,(H2,21,25)
InChIKeyFQJQQCXSWFNSBU-UHFFFAOYSA-N
XLogP2.40
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide (CID 154742123) is 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide is CC(C)Cc1nc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cs1.
What is the InChIKey of 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is FQJQQCXSWFNSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(2)11-18-22-17(13-27-18)20(26)24-9-7-23(8-10-24)12-15-3-5-16(6-4-15)19(21)25/h3-6,13-14H,7-12H2,1-2H3,(H2,21,25).
What are the key properties of 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 154742123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).