(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C18H17N3OS2 — CID 18844864

IUPAC(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1nc(C)cs1
InChIInChI=1S/C18H17N3OS2/c1-3-21-16(22)15(11-7-10-14-8-5-4-6-9-14)24-18(21)20-17-19-13(2)12-23-17/h4-12H,3H2,1-2H3/b10-7+,15-11-,20-18+
InChIKeyOAWWSKJDVJEJDM-IRQDVWSSSA-N
MW355.49 g/mol
LogP4.63
Rot. Bonds4

About (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 18844864) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID18844864
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1nc(C)cs1
InChIInChI=1S/C18H17N3OS2/c1-3-21-16(22)15(11-7-10-14-8-5-4-6-9-14)24-18(21)20-17-19-13(2)12-23-17/h4-12H,3H2,1-2H3/b10-7+,15-11-,20-18+
InChIKeyOAWWSKJDVJEJDM-IRQDVWSSSA-N
XLogP4.63
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[4-[(E)-[(2E)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 43861826
2-[2-[(E)-[(2E)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 43862865
3-ethyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350634
(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18844876
(5E)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 20836362
(5Z)-3-(diethylaminomethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 6366658
(2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845344
6-[(E)-[(2E)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2,3-dimethoxybenzoic acid
CID 43861806
(5Z)-3-(1H-benzimidazol-2-ylmethyl)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 54612721
(2E,5Z)-5-benzylidene-3-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845093
(5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 1231522
2-[2-ethoxy-4-[(E)-[(2E)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 43863612

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 18844864) is (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1nc(C)cs1.
What is the InChIKey of (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is OAWWSKJDVJEJDM-IRQDVWSSSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-3-21-16(22)15(11-7-10-14-8-5-4-6-9-14)24-18(21)20-17-19-13(2)12-23-17/h4-12H,3H2,1-2H3/b10-7+,15-11-,20-18+.
What are the key properties of (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 355.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).