(2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate

C15H24NO3S- — CID 7288189

IUPAC(2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1[C@@H](C2CCCCC2)SC[C@H]1C(=O)[O-]
InChIInChI=1S/C15H25NO3S/c1-15(2,3)14(19)16-11(13(17)18)9-20-12(16)10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H,17,18)/p-1/t11-,12+/m0/s1
InChIKeyDHDGLQCVVYDUKH-NWDGAFQWSA-M
MW298.43 g/mol
LogP1.63
Rot. Bonds2

About (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate

(2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 7288189) has the molecular formula C15H24NO3S- and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name(2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID7288189
Molecular FormulaC15H24NO3S-
Molecular Weight298.43 g/mol
Exact Mass298.15
IUPAC Name(2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1[C@@H](C2CCCCC2)SC[C@H]1C(=O)[O-]
InChIInChI=1S/C15H25NO3S/c1-15(2,3)14(19)16-11(13(17)18)9-20-12(16)10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H,17,18)/p-1/t11-,12+/m0/s1
InChIKeyDHDGLQCVVYDUKH-NWDGAFQWSA-M
XLogP1.63
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 16771274
methyl 2-cyclohexyl-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 42729761
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CID 135302075
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
butyl 2-cyclohexyl-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxylate
CID 42658122
2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792218
3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782142
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744161
2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744121

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate (CID 7288189) is (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate is CC(C)(C)C(=O)N1[C@@H](C2CCCCC2)SC[C@H]1C(=O)[O-].
What is the InChIKey of (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is DHDGLQCVVYDUKH-NWDGAFQWSA-M. The full InChI is InChI=1S/C15H25NO3S/c1-15(2,3)14(19)16-11(13(17)18)9-20-12(16)10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H,17,18)/p-1/t11-,12+/m0/s1.
What are the key properties of (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate?
(2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-cyclohexyl-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7288189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).