5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

C17H29N3S — CID 115979536

IUPAC5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)C1CN(Cc2cncs2)C(C2CCCCC2)CN1
InChIInChI=1S/C17H29N3S/c1-13(2)16-11-20(10-15-8-18-12-21-15)17(9-19-16)14-6-4-3-5-7-14/h8,12-14,16-17,19H,3-7,9-11H2,1-2H3
InChIKeyOUAICWCCFRVEPE-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.52
Rot. Bonds4

About 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 115979536) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID115979536
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)C1CN(Cc2cncs2)C(C2CCCCC2)CN1
InChIInChI=1S/C17H29N3S/c1-13(2)16-11-20(10-15-8-18-12-21-15)17(9-19-16)14-6-4-3-5-7-14/h8,12-14,16-17,19H,3-7,9-11H2,1-2H3
InChIKeyOUAICWCCFRVEPE-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole 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 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 115979536) is 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is CC(C)C1CN(Cc2cncs2)C(C2CCCCC2)CN1.
What is the InChIKey of 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is OUAICWCCFRVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-13(2)16-11-20(10-15-8-18-12-21-15)17(9-19-16)14-6-4-3-5-7-14/h8,12-14,16-17,19H,3-7,9-11H2,1-2H3.
What are the key properties of 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 307.51 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 115979536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).