(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C17H16N2OS2 — CID 135592451

IUPAC(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3cccs3)S2)c1
InChIInChI=1S/C17H16N2OS2/c1-11-6-12(2)8-13(7-11)10-18-17-19-16(20)15(22-17)9-14-4-3-5-21-14/h3-9H,10H2,1-2H3,(H,18,19,20)/b15-9-
InChIKeyQWVXSGOEGFAQFF-DHDCSXOGSA-N
MW328.46 g/mol
LogP4.13
Rot. Bonds3

About (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135592451) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135592451
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3cccs3)S2)c1
InChIInChI=1S/C17H16N2OS2/c1-11-6-12(2)8-13(7-11)10-18-17-19-16(20)15(22-17)9-14-4-3-5-21-14/h3-9H,10H2,1-2H3,(H,18,19,20)/b15-9-
InChIKeyQWVXSGOEGFAQFF-DHDCSXOGSA-N
XLogP4.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137044010
(5Z)-5-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-[(3,5-dimethylphenyl)methylimino]-1,3-thiazolidin-4-one
CID 135592481
2-(4-fluorophenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452292
(5Z)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-2-[(3,5-dimethylphenyl)methylimino]-1,3-thiazolidin-4-one
CID 135592464
(5Z)-2-(4-ethoxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 136736934
(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135870759
(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563100
5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
CID 135538834
N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide
CID 137131206
4-methyl-3-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765886
2-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834503
(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135592457

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135592451) is (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3cccs3)S2)c1.
What is the InChIKey of (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is QWVXSGOEGFAQFF-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-11-6-12(2)8-13(7-11)10-18-17-19-16(20)15(22-17)9-14-4-3-5-21-14/h3-9H,10H2,1-2H3,(H,18,19,20)/b15-9-.
What are the key properties of (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 328.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135592451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).