(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile

C16H10N2O2S3 — CID 17454409

IUPAC(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile
SMILESCn1c(=O)/c(=C\c2cccs2)s/c1=C(/C#N)C(=O)c1cccs1
InChIInChI=1S/C16H10N2O2S3/c1-18-15(20)13(8-10-4-2-6-21-10)23-16(18)11(9-17)14(19)12-5-3-7-22-12/h2-8H,1H3/b13-8+,16-11-
InChIKeyUEMXZOSQNXYMPD-WLDBMUDHSA-N
MW358.47 g/mol
LogP1.96
Rot. Bonds3

About (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile

(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile (PubChem CID 17454409) has the molecular formula C16H10N2O2S3 and a molecular weight of 358.47 g/mol. Its IUPAC name is (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile
PubChem CID17454409
Molecular FormulaC16H10N2O2S3
Molecular Weight358.47 g/mol
Exact Mass357.99
IUPAC Name(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile
SMILESCn1c(=O)/c(=C\c2cccs2)s/c1=C(/C#N)C(=O)c1cccs1
InChIInChI=1S/C16H10N2O2S3/c1-18-15(20)13(8-10-4-2-6-21-10)23-16(18)11(9-17)14(19)12-5-3-7-22-12/h2-8H,1H3/b13-8+,16-11-
InChIKeyUEMXZOSQNXYMPD-WLDBMUDHSA-N
XLogP1.96
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile with MolForge

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Related Compounds

2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 91372698
2-cyano-2-[4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
CID 3968899
2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide
CID 4568886
3-oxo-2-[4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile
CID 3432236
2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653475
2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 94626471
2-[5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 91941304
(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 6598580
2-[3-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 5140180
2-[5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 3453406
(6Z)-3-methyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420518
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831524

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile?
The IUPAC name of (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile (CID 17454409) is (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile is Cn1c(=O)/c(=C\c2cccs2)s/c1=C(/C#N)C(=O)c1cccs1.
What is the InChIKey of (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile?
The InChIKey is UEMXZOSQNXYMPD-WLDBMUDHSA-N. The full InChI is InChI=1S/C16H10N2O2S3/c1-18-15(20)13(8-10-4-2-6-21-10)23-16(18)11(9-17)14(19)12-5-3-7-22-12/h2-8H,1H3/b13-8+,16-11-.
What are the key properties of (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile?
(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile has a molecular weight of 358.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 17454409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).