2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C20H15N3OS2 — CID 8862370

IUPAC2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCc1ccccc1-n1c(=C(C#N)C#N)s/c(=C/c2ccc(C)s2)c1=O
InChIInChI=1S/C20H15N3OS2/c1-3-14-6-4-5-7-17(14)23-19(24)18(10-16-9-8-13(2)25-16)26-20(23)15(11-21)12-22/h4-10H,3H2,1-2H3/b18-10+
InChIKeyNPTHJBAQZSEBSI-VCHYOVAHSA-N
MW377.49 g/mol
LogP2.86
Rot. Bonds3

About 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8862370) has the molecular formula C20H15N3OS2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID8862370
Molecular FormulaC20H15N3OS2
Molecular Weight377.49 g/mol
Exact Mass377.07
IUPAC Name2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCc1ccccc1-n1c(=C(C#N)C#N)s/c(=C/c2ccc(C)s2)c1=O
InChIInChI=1S/C20H15N3OS2/c1-3-14-6-4-5-7-17(14)23-19(24)18(10-16-9-8-13(2)25-16)26-20(23)15(11-21)12-22/h4-10H,3H2,1-2H3/b18-10+
InChIKeyNPTHJBAQZSEBSI-VCHYOVAHSA-N
XLogP2.86
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8862370) is 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is CCc1ccccc1-n1c(=C(C#N)C#N)s/c(=C/c2ccc(C)s2)c1=O.
What is the InChIKey of 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is NPTHJBAQZSEBSI-VCHYOVAHSA-N. The full InChI is InChI=1S/C20H15N3OS2/c1-3-14-6-4-5-7-17(14)23-19(24)18(10-16-9-8-13(2)25-16)26-20(23)15(11-21)12-22/h4-10H,3H2,1-2H3/b18-10+.
What are the key properties of 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 377.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8862370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).