(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide

C19H26N2O2S — CID 70513523

IUPAC(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc([C@@H]2SC(=O)N(C(=O)NC3CCC(C)CC3)[C@H]2C)cc1
InChIInChI=1S/C19H26N2O2S/c1-12-4-8-15(9-5-12)17-14(3)21(19(23)24-17)18(22)20-16-10-6-13(2)7-11-16/h4-5,8-9,13-14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)/t13?,14-,16?,17+/m0/s1
InChIKeyMIPGHOIOZALWKN-UMAGBFNSSA-N
MW346.50 g/mol
LogP4.88
Rot. Bonds2

About (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide

(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 70513523) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID70513523
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc([C@@H]2SC(=O)N(C(=O)NC3CCC(C)CC3)[C@H]2C)cc1
InChIInChI=1S/C19H26N2O2S/c1-12-4-8-15(9-5-12)17-14(3)21(19(23)24-17)18(22)20-16-10-6-13(2)7-11-16/h4-5,8-9,13-14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)/t13?,14-,16?,17+/m0/s1
InChIKeyMIPGHOIOZALWKN-UMAGBFNSSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.88
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)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide (CID 70513523) is (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide is Cc1ccc([C@@H]2SC(=O)N(C(=O)NC3CCC(C)CC3)[C@H]2C)cc1.
What is the InChIKey of (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is MIPGHOIOZALWKN-UMAGBFNSSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-12-4-8-15(9-5-12)17-14(3)21(19(23)24-17)18(22)20-16-10-6-13(2)7-11-16/h4-5,8-9,13-14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)/t13?,14-,16?,17+/m0/s1.
What are the key properties of (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 70513523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).