2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C21H34N4OS — CID 53158535

IUPAC2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C21H34N4OS/c26-20(15-18-7-3-1-4-8-18)24-11-13-25(14-12-24)21-22-19(17-27-21)16-23-9-5-2-6-10-23/h17-18H,1-16H2
InChIKeyIFIVQSADTRDEEZ-UHFFFAOYSA-N
MW390.60 g/mol
LogP3.75
Rot. Bonds5

About 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 53158535) has the molecular formula C21H34N4OS and a molecular weight of 390.60 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID53158535
Molecular FormulaC21H34N4OS
Molecular Weight390.60 g/mol
Exact Mass390.25
IUPAC Name2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C21H34N4OS/c26-20(15-18-7-3-1-4-8-18)24-11-13-25(14-12-24)21-22-19(17-27-21)16-23-9-5-2-6-10-23/h17-18H,1-16H2
InChIKeyIFIVQSADTRDEEZ-UHFFFAOYSA-N
XLogP3.75
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone 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-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 53158535) is 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is IFIVQSADTRDEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4OS/c26-20(15-18-7-3-1-4-8-18)24-11-13-25(14-12-24)21-22-19(17-27-21)16-23-9-5-2-6-10-23/h17-18H,1-16H2.
What are the key properties of 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 390.60 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53158535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).