propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate

C21H30N2O3S — CID 7249232

IUPACpropyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H30N2O3S/c1-3-13-26-20(24)18-14-27-19(16-7-5-4-6-8-16)23(18)21(25)22-17-11-9-15(2)10-12-17/h9-12,16,18-19H,3-8,13-14H2,1-2H3,(H,22,25)/t18-,19-/m1/s1
InChIKeyPRSIDHYXWRRZBO-RTBURBONSA-N
MW390.55 g/mol
LogP4.80
Rot. Bonds5

About propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate

propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 7249232) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
PubChem CID7249232
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Namepropyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H30N2O3S/c1-3-13-26-20(24)18-14-27-19(16-7-5-4-6-8-16)23(18)21(25)22-17-11-9-15(2)10-12-17/h9-12,16,18-19H,3-8,13-14H2,1-2H3,(H,22,25)/t18-,19-/m1/s1
InChIKeyPRSIDHYXWRRZBO-RTBURBONSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

propyl (2S,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249234
propyl (2R,4R)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249231
propyl (2S,4R)-2-cyclohexyl-3-[(3,4-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7236951
butyl 3-(4-chlorobenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate
CID 42729805
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
propyl 2-(4-tert-butylphenyl)-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729528
propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3401669
butyl (2R,4S)-3-[(4-ethylphenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 7301832
methyl 2-cyclohexyl-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 42729761
butyl 3-[(4-cyanophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 3561948
propyl 3-[(2-bromophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745590
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153

Frequently Asked Questions

What is the IUPAC name of propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate (CID 7249232) is propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate is CCCOC(=O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is PRSIDHYXWRRZBO-RTBURBONSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-3-13-26-20(24)18-14-27-19(16-7-5-4-6-8-16)23(18)21(25)22-17-11-9-15(2)10-12-17/h9-12,16,18-19H,3-8,13-14H2,1-2H3,(H,22,25)/t18-,19-/m1/s1.
What are the key properties of propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 390.55 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7249232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).