(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

C20H14N4O2S2 — CID 8829379

IUPAC(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
SMILESCn1c(=O)/c(=C/c2cccc(/C=c3/s/c(=C\C#N)n(C)c3=O)c2)s/c1=C\C#N
InChIInChI=1S/C20H14N4O2S2/c1-23-17(6-8-21)27-15(19(23)25)11-13-4-3-5-14(10-13)12-16-20(26)24(2)18(28-16)7-9-22/h3-7,10-12H,1-2H3/b15-11-,16-12+,17-6-,18-7-
InChIKeyUKVTVZMSQXQVSK-QBZOACCLSA-N
MW406.49 g/mol
LogP-0.53
Rot. Bonds2

About (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

(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 (PubChem CID 8829379) has the molecular formula C20H14N4O2S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID8829379
Molecular FormulaC20H14N4O2S2
Molecular Weight406.49 g/mol
Exact Mass406.06
IUPAC Name(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
SMILESCn1c(=O)/c(=C/c2cccc(/C=c3/s/c(=C\C#N)n(C)c3=O)c2)s/c1=C\C#N
InChIInChI=1S/C20H14N4O2S2/c1-23-17(6-8-21)27-15(19(23)25)11-13-4-3-5-14(10-13)12-16-20(26)24(2)18(28-16)7-9-22/h3-7,10-12H,1-2H3/b15-11-,16-12+,17-6-,18-7-
InChIKeyUKVTVZMSQXQVSK-QBZOACCLSA-N
XLogP-0.53
TPSA91.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829604
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8685233
(2Z)-2-[(5Z)-3-methyl-4-oxo-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829588
(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829400
(2Z)-2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829624
(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831442
(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-ethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 98449361
2-[(5E)-5-[[3-(4-chlorophenoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 9393716
(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2465949
(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 17420075
2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652974

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1c(=O)/c(=C/c2cccc(/C=c3/s/c(=C\C#N)n(C)c3=O)c2)s/c1=C\C#N.
What is the InChIKey of (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?
The InChIKey is UKVTVZMSQXQVSK-QBZOACCLSA-N. The full InChI is InChI=1S/C20H14N4O2S2/c1-23-17(6-8-21)27-15(19(23)25)11-13-4-3-5-14(10-13)12-16-20(26)24(2)18(28-16)7-9-22/h3-7,10-12H,1-2H3/b15-11-,16-12+,17-6-,18-7-.
What are the key properties of (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?
(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 has a molecular weight of 406.49 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 8829379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).