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

C17H12N2OS — CID 8829604

IUPAC(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCn1c(=O)/c(=C\c2ccc3ccccc3c2)s/c1=C\C#N
InChIInChI=1S/C17H12N2OS/c1-19-16(8-9-18)21-15(17(19)20)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-8,10-11H,1H3/b15-11+,16-8-
InChIKeyIKBQANQQCOIYPJ-IWKMIIBFSA-N
MW292.36 g/mol
LogP1.73
Rot. Bonds1

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

(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (PubChem CID 8829604) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
PubChem CID8829604
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCn1c(=O)/c(=C\c2ccc3ccccc3c2)s/c1=C\C#N
InChIInChI=1S/C17H12N2OS/c1-19-16(8-9-18)21-15(17(19)20)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-8,10-11H,1H3/b15-11+,16-8-
InChIKeyIKBQANQQCOIYPJ-IWKMIIBFSA-N
XLogP1.73
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
(2Z)-2-[(5Z)-3-methyl-4-oxo-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829588
(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-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2465949
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827958
2-[2-methoxy-4-[(Z)-[(2Z)-3-methyl-4-oxo-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 8831515
(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
(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-ethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 98449361
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8814305

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The IUPAC name of (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (CID 8829604) is (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.
What is the SMILES notation for (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The canonical SMILES for (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is Cn1c(=O)/c(=C\c2ccc3ccccc3c2)s/c1=C\C#N.
What is the InChIKey of (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The InChIKey is IKBQANQQCOIYPJ-IWKMIIBFSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-19-16(8-9-18)21-15(17(19)20)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-8,10-11H,1H3/b15-11+,16-8-.
What are the key properties of (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile has a molecular weight of 292.36 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is sourced from PubChem (CID 8829604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).