(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride

C17H22Cl2N2O2S — CID 67450795

IUPAC(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride
SMILESC[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1.Cl
InChIInChI=1S/C17H21ClN2O2S.ClH/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14;/h7-11,14-15H,2-6H2,1H3,(H,19,21);1H/t11-,15+;/m0./s1
InChIKeyZNXXGQWOUVXCIB-OTKFKWBMSA-N
MW389.35 g/mol
LogP5.40
Rot. Bonds2

About (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride

(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride (PubChem CID 67450795) has the molecular formula C17H22Cl2N2O2S and a molecular weight of 389.35 g/mol. Its IUPAC name is (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride
PubChem CID67450795
Molecular FormulaC17H22Cl2N2O2S
Molecular Weight389.35 g/mol
Exact Mass388.08
IUPAC Name(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride
SMILESC[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1.Cl
InChIInChI=1S/C17H21ClN2O2S.ClH/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14;/h7-11,14-15H,2-6H2,1H3,(H,19,21);1H/t11-,15+;/m0./s1
InChIKeyZNXXGQWOUVXCIB-OTKFKWBMSA-N
XLogP5.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride?
The IUPAC name of (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride (CID 67450795) is (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride is C[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1.Cl.
What is the InChIKey of (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride?
The InChIKey is ZNXXGQWOUVXCIB-OTKFKWBMSA-N. The full InChI is InChI=1S/C17H21ClN2O2S.ClH/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14;/h7-11,14-15H,2-6H2,1H3,(H,19,21);1H/t11-,15+;/m0./s1.
What are the key properties of (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride?
(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride has a molecular weight of 389.35 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67450795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).