(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide

C18H24N2O2S — CID 809786

IUPAC(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@@H](C(=O)NC2CCCCC2)CS[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-13(21)20-16(17(22)19-15-10-6-3-7-11-15)12-23-18(20)14-8-4-2-5-9-14/h2,4-5,8-9,15-16,18H,3,6-7,10-12H2,1H3,(H,19,22)/t16-,18-/m1/s1
InChIKeyGCLYLGCAKWAGTN-SJLPKXTDSA-N
MW332.47 g/mol
LogP3.10
Rot. Bonds3

About (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide

(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 809786) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID809786
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@@H](C(=O)NC2CCCCC2)CS[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-13(21)20-16(17(22)19-15-10-6-3-7-11-15)12-23-18(20)14-8-4-2-5-9-14/h2,4-5,8-9,15-16,18H,3,6-7,10-12H2,1H3,(H,19,22)/t16-,18-/m1/s1
InChIKeyGCLYLGCAKWAGTN-SJLPKXTDSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 7323775
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744161
tert-butyl 2-(4-chlorophenyl)-4-(cyclohexylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 4544693
3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4984599
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
(2R,4S)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323795
(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323796
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142
N-(1-benzylpiperidin-4-yl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748547
(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 23877584
acetic acid;3-acetyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 67943827

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 809786) is (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide is CC(=O)N1[C@@H](C(=O)NC2CCCCC2)CS[C@@H]1c1ccccc1.
What is the InChIKey of (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is GCLYLGCAKWAGTN-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13(21)20-16(17(22)19-15-10-6-3-7-11-15)12-23-18(20)14-8-4-2-5-9-14/h2,4-5,8-9,15-16,18H,3,6-7,10-12H2,1H3,(H,19,22)/t16-,18-/m1/s1.
What are the key properties of (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 809786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).