2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide

C18H29N5O2S — CID 163368446

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C18H29N5O2S/c1-14(24)20-18-19-11-16(26-18)12-22-7-9-23(10-8-22)13-17(25)21-15-5-3-2-4-6-15/h11,15H,2-10,12-13H2,1H3,(H,21,25)(H,19,20,24)
InChIKeyVXSBPUHYZOSXTM-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.67
Rot. Bonds6

About 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide (PubChem CID 163368446) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
PubChem CID163368446
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C18H29N5O2S/c1-14(24)20-18-19-11-16(26-18)12-22-7-9-23(10-8-22)13-17(25)21-15-5-3-2-4-6-15/h11,15H,2-10,12-13H2,1H3,(H,21,25)(H,19,20,24)
InChIKeyVXSBPUHYZOSXTM-UHFFFAOYSA-N
XLogP1.67
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide 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 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide (CID 163368446) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)NC3CCCCC3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide?
The InChIKey is VXSBPUHYZOSXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-14(24)20-18-19-11-16(26-18)12-22-7-9-23(10-8-22)13-17(25)21-15-5-3-2-4-6-15/h11,15H,2-10,12-13H2,1H3,(H,21,25)(H,19,20,24).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide has a molecular weight of 379.53 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 163368446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).