3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

C18H31N3O2S — CID 42744842

IUPAC3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NCCN2CCCC2)CSC1C1CCCCC1
InChIInChI=1S/C18H31N3O2S/c1-14(22)21-16(13-24-18(21)15-7-3-2-4-8-15)17(23)19-9-12-20-10-5-6-11-20/h15-16,18H,2-13H2,1H3,(H,19,23)
InChIKeyMIZOOCOCGSIWHF-UHFFFAOYSA-N
MW353.53 g/mol
LogP2.07
Rot. Bonds5

About 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide

3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744842) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744842
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC Name3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(C(=O)NCCN2CCCC2)CSC1C1CCCCC1
InChIInChI=1S/C18H31N3O2S/c1-14(22)21-16(13-24-18(21)15-7-3-2-4-8-15)17(23)19-9-12-20-10-5-6-11-20/h15-16,18H,2-13H2,1H3,(H,19,23)
InChIKeyMIZOOCOCGSIWHF-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42744842) is 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1C(C(=O)NCCN2CCCC2)CSC1C1CCCCC1.
What is the InChIKey of 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MIZOOCOCGSIWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-14(22)21-16(13-24-18(21)15-7-3-2-4-8-15)17(23)19-9-12-20-10-5-6-11-20/h15-16,18H,2-13H2,1H3,(H,19,23).
What are the key properties of 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 353.53 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).