3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide

C13H22N2O2S — CID 47080816

IUPAC3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H22N2O2S/c1-9-3-5-11(6-4-9)14-13(17)12-7-18-8-15(12)10(2)16/h9,11-12H,3-8H2,1-2H3,(H,14,17)
InChIKeyAXDMDDGLFCVVTN-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.60
Rot. Bonds2

About 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide

3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 47080816) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
PubChem CID47080816
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H22N2O2S/c1-9-3-5-11(6-4-9)14-13(17)12-7-18-8-15(12)10(2)16/h9,11-12H,3-8H2,1-2H3,(H,14,17)
InChIKeyAXDMDDGLFCVVTN-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide (CID 47080816) is 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSCC1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is AXDMDDGLFCVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9-3-5-11(6-4-9)14-13(17)12-7-18-8-15(12)10(2)16/h9,11-12H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 47080816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).