(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide

About (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2419427) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name	(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID	2419427
Molecular Formula	C20H17N3O3S2
Molecular Weight	411.51 g/mol
Exact Mass	411.07
IUPAC Name	(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide
SMILES	C=CCn1c(=O)/c(=C/c2sccc2C)s/c1=C(/C#N)C(=O)NCc1ccco1
InChI	InChI=1S/C20H17N3O3S2/c1-3-7-23-19(25)17(10-16-13(2)6-9-27-16)28-20(23)15(11-21)18(24)22-12-14-5-4-8-26-14/h3-6,8-10H,1,7,12H2,2H3,(H,22,24)/b17-10-,20-15-
InChIKey	QTNGWXFTAJAXDT-PXTPZRTHSA-N
XLogP	1.88
TPSA	88.03 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide (CID 2419427) is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide is C=CCn1c(=O)/c(=C/c2sccc2C)s/c1=C(/C#N)C(=O)NCc1ccco1.

What is the InChIKey of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is QTNGWXFTAJAXDT-PXTPZRTHSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-3-7-23-19(25)17(10-16-13(2)6-9-27-16)28-20(23)15(11-21)18(24)22-12-14-5-4-8-26-14/h3-6,8-10H,1,7,12H2,2H3,(H,22,24)/b17-10-,20-15-.

What are the key properties of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 411.51 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2419427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).