(2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C18H15N3O4S — CID 2341069

IUPAC(2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCOc1ccc(N2C(=O)CS/C2=C(\C#N)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H15N3O4S/c1-24-13-6-4-12(5-7-13)21-16(22)11-26-18(21)15(9-19)17(23)20-10-14-3-2-8-25-14/h2-8H,10-11H2,1H3,(H,20,23)/b18-15+
InChIKeyMJWCNSWCPFTETO-OBGWFSINSA-N
MW369.40 g/mol
LogP2.42
Rot. Bonds5

About (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2341069) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID2341069
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCOc1ccc(N2C(=O)CS/C2=C(\C#N)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H15N3O4S/c1-24-13-6-4-12(5-7-13)21-16(22)11-26-18(21)15(9-19)17(23)20-10-14-3-2-8-25-14/h2-8H,10-11H2,1H3,(H,20,23)/b18-15+
InChIKeyMJWCNSWCPFTETO-OBGWFSINSA-N
XLogP2.42
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 3770514
(2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 25371432
methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate
CID 144675323
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 18875305
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 18875869
2-[3-(4-bromophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
CID 3448357
(2E)-2-cyano-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CID 139232350
(2Z)-2-[5-[(4-butylphenyl)methyl]-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
CID 18875235
(2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 18875044
2-cyano-2-[3-(4-fluorophenyl)-5-[(3-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 3636433

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 2341069) is (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is COc1ccc(N2C(=O)CS/C2=C(\C#N)C(=O)NCc2ccco2)cc1.
What is the InChIKey of (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is MJWCNSWCPFTETO-OBGWFSINSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-24-13-6-4-12(5-7-13)21-16(22)11-26-18(21)15(9-19)17(23)20-10-14-3-2-8-25-14/h2-8H,10-11H2,1H3,(H,20,23)/b18-15+.
What are the key properties of (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2341069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).