(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile

C14H12N2O2S — CID 6389539

IUPAC(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCOc1ccc(/C=c2/s/c(=C\C#N)n(C)c2=O)cc1
InChIInChI=1S/C14H12N2O2S/c1-16-13(7-8-15)19-12(14(16)17)9-10-3-5-11(18-2)6-4-10/h3-7,9H,1-2H3/b12-9+,13-7-
InChIKeyHBNLUXGSTINEBD-MCSGJTQASA-N
MW272.33 g/mol
LogP0.59
Rot. Bonds2

About (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile

(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (PubChem CID 6389539) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
PubChem CID6389539
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCOc1ccc(/C=c2/s/c(=C\C#N)n(C)c2=O)cc1
InChIInChI=1S/C14H12N2O2S/c1-16-13(7-8-15)19-12(14(16)17)9-10-3-5-11(18-2)6-4-10/h3-7,9H,1-2H3/b12-9+,13-7-
InChIKeyHBNLUXGSTINEBD-MCSGJTQASA-N
XLogP0.59
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z)-2-[(5Z)-3-methyl-4-oxo-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829588
(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829604
(2Z)-2-[(5Z)-5-[[3-[(E)-[(2Z)-2-(cyanomethylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829379
(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8685233
(2Z)-2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829624
(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829400
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827958
7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione
CID 71440583
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 53242508
(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6270515
(2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827923
2-(2-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3788048

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The IUPAC name of (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (CID 6389539) is (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.
What is the SMILES notation for (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The canonical SMILES for (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is COc1ccc(/C=c2/s/c(=C\C#N)n(C)c2=O)cc1.
What is the InChIKey of (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The InChIKey is HBNLUXGSTINEBD-MCSGJTQASA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-16-13(7-8-15)19-12(14(16)17)9-10-3-5-11(18-2)6-4-10/h3-7,9H,1-2H3/b12-9+,13-7-.
What are the key properties of (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile has a molecular weight of 272.33 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is sourced from PubChem (CID 6389539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).