(2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C16H16N4O2S2 — CID 18845801

IUPAC(2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C(C)=C2\S/C(=N/c3nnc(C)s3)N(C)C2=O)cc1
InChIInChI=1S/C16H16N4O2S2/c1-9(11-5-7-12(22-4)8-6-11)13-14(21)20(3)16(24-13)17-15-19-18-10(2)23-15/h5-8H,1-4H3/b13-9-,17-16+
InChIKeyMGGAYAMRSKQJCV-WBCCSYDZSA-N
MW360.46 g/mol
LogP3.48
Rot. Bonds3

About (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18845801) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID18845801
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name(2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C(C)=C2\S/C(=N/c3nnc(C)s3)N(C)C2=O)cc1
InChIInChI=1S/C16H16N4O2S2/c1-9(11-5-7-12(22-4)8-6-11)13-14(21)20(3)16(24-13)17-15-19-18-10(2)23-15/h5-8H,1-4H3/b13-9-,17-16+
InChIKeyMGGAYAMRSKQJCV-WBCCSYDZSA-N
XLogP3.48
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18846105
(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845720
(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844281
(2E,5Z)-3-ethyl-5-[1-(4-methoxyphenyl)ethylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842835
4-[(Z)-[3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 7730077
(2E,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845777
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842220
(2E,5Z)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18845779
(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one
CID 170794425
(2E,5Z)-5-[1-(3-aminophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18846010
(2E,5Z)-5-[1-(3-aminophenyl)ethylidene]-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18844781
2-[(E)-[(2E)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 43861776

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18845801) is (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is COc1ccc(/C(C)=C2\S/C(=N/c3nnc(C)s3)N(C)C2=O)cc1.
What is the InChIKey of (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is MGGAYAMRSKQJCV-WBCCSYDZSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-9(11-5-7-12(22-4)8-6-11)13-14(21)20(3)16(24-13)17-15-19-18-10(2)23-15/h5-8H,1-4H3/b13-9-,17-16+.
What are the key properties of (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[1-(4-methoxyphenyl)ethylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).