(2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide

C24H24N4O4S2 — CID 2099720

IUPAC(2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(-n2c(=O)/c(=C\c3cccs3)s/c2=C(/C#N)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-31-18-6-4-17(5-7-18)28-23(30)21(15-19-3-2-14-33-19)34-24(28)20(16-25)22(29)26-8-9-27-10-12-32-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,26,29)/b21-15+,24-20-
InChIKeyLAYYDXLVQMYGOC-VIJRKPPOSA-N
MW496.61 g/mol
LogP0.92
Rot. Bonds7

About (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide

(2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 2099720) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID2099720
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name(2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(-n2c(=O)/c(=C\c3cccs3)s/c2=C(/C#N)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-31-18-6-4-17(5-7-18)28-23(30)21(15-19-3-2-14-33-19)34-24(28)20(16-25)22(29)26-8-9-27-10-12-32-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,26,29)/b21-15+,24-20-
InChIKeyLAYYDXLVQMYGOC-VIJRKPPOSA-N
XLogP0.92
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide (CID 2099720) is (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide is COc1ccc(-n2c(=O)/c(=C\c3cccs3)s/c2=C(/C#N)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is LAYYDXLVQMYGOC-VIJRKPPOSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-31-18-6-4-17(5-7-18)28-23(30)21(15-19-3-2-14-33-19)34-24(28)20(16-25)22(29)26-8-9-27-10-12-32-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,26,29)/b21-15+,24-20-.
What are the key properties of (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide?
(2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 496.61 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5E)-3-(4-methoxyphenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 2099720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).