(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

C23H26N2OS — CID 8990679

IUPAC(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccccc1/N=C1/S/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)N1C
InChIInChI=1S/C23H26N2OS/c1-6-17-9-7-8-10-19(17)24-22-25(5)21(26)20(27-22)15-16-11-13-18(14-12-16)23(2,3)4/h7-15H,6H2,1-5H3/b20-15-,24-22+
InChIKeyHBTVWVZISCFMDT-PRMAFZJDSA-N
MW378.54 g/mol
LogP5.78
Rot. Bonds3

About (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 8990679) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID8990679
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccccc1/N=C1/S/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)N1C
InChIInChI=1S/C23H26N2OS/c1-6-17-9-7-8-10-19(17)24-22-25(5)21(26)20(27-22)15-16-11-13-18(14-12-16)23(2,3)4/h7-15H,6H2,1-5H3/b20-15-,24-22+
InChIKeyHBTVWVZISCFMDT-PRMAFZJDSA-N
XLogP5.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(2-ethylphenyl)imino-3-methyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8990680
(5Z)-2-(2-ethylphenyl)imino-5-[(3-methoxy-4-propoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8990648
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486645
(5E)-5-[(4-bromophenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486839
(5E)-3-methyl-2-(2-methylphenyl)imino-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486785
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-chlorophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486367
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485551
(5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 8990688
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486781
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485636
4-[(Z)-[(2E)-3-methyl-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18841767
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843212

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 8990679) is (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is CCc1ccccc1/N=C1/S/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is HBTVWVZISCFMDT-PRMAFZJDSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-6-17-9-7-8-10-19(17)24-22-25(5)21(26)20(27-22)15-16-11-13-18(14-12-16)23(2,3)4/h7-15H,6H2,1-5H3/b20-15-,24-22+.
What are the key properties of (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 378.54 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(2-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 8990679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).