3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide

C12H20N2O2S — CID 3592135

IUPAC3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)NC1CCCCC1
InChIInChI=1S/C12H20N2O2S/c1-9(15)14-8-17-7-11(14)12(16)13-10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,13,16)
InChIKeyDXWVLWXGHHJXDS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.36
Rot. Bonds2

About 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide

3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide (PubChem CID 3592135) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide
PubChem CID3592135
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)NC1CCCCC1
InChIInChI=1S/C12H20N2O2S/c1-9(15)14-8-17-7-11(14)12(16)13-10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,13,16)
InChIKeyDXWVLWXGHHJXDS-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5157994
(2S)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
N-Cyclohexyl-2-(2,4-dioxo-thiazolidin-3-yl)-acetamide
CID 653300
(4S)-2-dodecyl-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399774
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
(4S)-3-[(2S)-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
CID 13312552
(2S)-aminobutyryl-4-thia-L-prolinamide
CID 44421595
N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 43263478
N-(butan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002788
N-butyl-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002789

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide (CID 3592135) is 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSCC1C(=O)NC1CCCCC1.
What is the InChIKey of 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DXWVLWXGHHJXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(15)14-8-17-7-11(14)12(16)13-10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,13,16).
What are the key properties of 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-cyclohexyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3592135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).