(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H17N3O3S — CID 135757194

IUPAC(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C)c(C(=O)CC2S/C(=N\N=C\c3ccco3)NC2=O)c1
InChIInChI=1S/C18H17N3O3S/c1-11-5-6-12(2)14(8-11)15(22)9-16-17(23)20-18(25-16)21-19-10-13-4-3-7-24-13/h3-8,10,16H,9H2,1-2H3,(H,20,21,23)/b19-10+
InChIKeyBLBDOLYWVCAMNB-VXLYETTFSA-N
MW355.42 g/mol
LogP3.09
Rot. Bonds5

About (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135757194) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135757194
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C)c(C(=O)CC2S/C(=N\N=C\c3ccco3)NC2=O)c1
InChIInChI=1S/C18H17N3O3S/c1-11-5-6-12(2)14(8-11)15(22)9-16-17(23)20-18(25-16)21-19-10-13-4-3-7-24-13/h3-8,10,16H,9H2,1-2H3,(H,20,21,23)/b19-10+
InChIKeyBLBDOLYWVCAMNB-VXLYETTFSA-N
XLogP3.09
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706911
(2E)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455712
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135421677
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135726130
N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135455174
(2E)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one;2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135707041
N-(2,3-dimethylphenyl)-2-[2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135521236
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
CID 172945087
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 135815216
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
(2S)-2-[[2-[(2E,5R)-2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135816842

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135757194) is (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(C)c(C(=O)CC2S/C(=N\N=C\c3ccco3)NC2=O)c1.
What is the InChIKey of (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BLBDOLYWVCAMNB-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-5-6-12(2)14(8-11)15(22)9-16-17(23)20-18(25-16)21-19-10-13-4-3-7-24-13/h3-8,10,16H,9H2,1-2H3,(H,20,21,23)/b19-10+.
What are the key properties of (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 355.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135757194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).