3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide

C22H41N3O2S — CID 23503461

IUPAC3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide
SMILESCNCCCCCCN(C)C(=O)C1CSCN1C(=O)CCCC1CCCCC1
InChIInChI=1S/C22H41N3O2S/c1-23-15-8-3-4-9-16-24(2)22(27)20-17-28-18-25(20)21(26)14-10-13-19-11-6-5-7-12-19/h19-20,23H,3-18H2,1-2H3
InChIKeyUBEIGXNTQSTPEZ-UHFFFAOYSA-N
MW411.66 g/mol
LogP3.88
Rot. Bonds12

About 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide

3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 23503461) has the molecular formula C22H41N3O2S and a molecular weight of 411.66 g/mol. Its IUPAC name is 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide
PubChem CID23503461
Molecular FormulaC22H41N3O2S
Molecular Weight411.66 g/mol
Exact Mass411.29
IUPAC Name3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide
SMILESCNCCCCCCN(C)C(=O)C1CSCN1C(=O)CCCC1CCCCC1
InChIInChI=1S/C22H41N3O2S/c1-23-15-8-3-4-9-16-24(2)22(27)20-17-28-18-25(20)21(26)14-10-13-19-11-6-5-7-12-19/h19-20,23H,3-18H2,1-2H3
InChIKeyUBEIGXNTQSTPEZ-UHFFFAOYSA-N
XLogP3.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide 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 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide (CID 23503461) is 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide is CNCCCCCCN(C)C(=O)C1CSCN1C(=O)CCCC1CCCCC1.
What is the InChIKey of 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is UBEIGXNTQSTPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2S/c1-23-15-8-3-4-9-16-24(2)22(27)20-17-28-18-25(20)21(26)14-10-13-19-11-6-5-7-12-19/h19-20,23H,3-18H2,1-2H3.
What are the key properties of 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide?
3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 411.66 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylbutanoyl)-N-methyl-N-[6-(methylamino)hexyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 23503461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).