2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile

C18H13N5OS — CID 99819207

IUPAC2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCn1nccc1/C=c1\sc(=C(C#N)C#N)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H13N5OS/c1-2-22-15(8-9-21-22)10-16-17(24)23(14-6-4-3-5-7-14)18(25-16)13(11-19)12-20/h3-10H,2H2,1H3/b16-10-
InChIKeyVGMLZUYANXBCRR-YBEGLDIGSA-N
MW347.40 g/mol
LogP1.14
Rot. Bonds3

About 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 99819207) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID99819207
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCn1nccc1/C=c1\sc(=C(C#N)C#N)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H13N5OS/c1-2-22-15(8-9-21-22)10-16-17(24)23(14-6-4-3-5-7-14)18(25-16)13(11-19)12-20/h3-10H,2H2,1H3/b16-10-
InChIKeyVGMLZUYANXBCRR-YBEGLDIGSA-N
XLogP1.14
TPSA87.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 99819207) is 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is CCn1nccc1/C=c1\sc(=C(C#N)C#N)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is VGMLZUYANXBCRR-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H13N5OS/c1-2-22-15(8-9-21-22)10-16-17(24)23(14-6-4-3-5-7-14)18(25-16)13(11-19)12-20/h3-10H,2H2,1H3/b16-10-.
What are the key properties of 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 347.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 99819207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).