(5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C22H26N2O2S — CID 126168741

IUPAC(5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\S[C@@H](Cc3ccc(C)cc3)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C22H26N2O2S/c1-15(2)14-24-21(25)20(13-17-7-5-16(3)6-8-17)27-22(24)23-18-9-11-19(26-4)12-10-18/h5-12,15,20H,13-14H2,1-4H3/b23-22-/t20-/m0/s1
InChIKeyVLUJTBMDBCEGOZ-LPNGOHTBSA-N
MW382.53 g/mol
LogP4.83
Rot. Bonds6

About (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

(5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 126168741) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID126168741
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name(5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\S[C@@H](Cc3ccc(C)cc3)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C22H26N2O2S/c1-15(2)14-24-21(25)20(13-17-7-5-16(3)6-8-17)27-22(24)23-18-9-11-19(26-4)12-10-18/h5-12,15,20H,13-14H2,1-4H3/b23-22-/t20-/m0/s1
InChIKeyVLUJTBMDBCEGOZ-LPNGOHTBSA-N
XLogP4.83
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 126168741) is (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is COc1ccc(/N=C2\S[C@@H](Cc3ccc(C)cc3)C(=O)N2CC(C)C)cc1.
What is the InChIKey of (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is VLUJTBMDBCEGOZ-LPNGOHTBSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-15(2)14-24-21(25)20(13-17-7-5-16(3)6-8-17)27-22(24)23-18-9-11-19(26-4)12-10-18/h5-12,15,20H,13-14H2,1-4H3/b23-22-/t20-/m0/s1.
What are the key properties of (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
(5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 382.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-methoxyphenyl)imino-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 126168741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).