(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

C24H17N5O3S — CID 139232350

IUPAC(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
SMILESCc1nc(NC(=O)/C(C#N)=C2/SCC(=O)N2c2ccccc2)c(C#N)c(-c2ccco2)c1C
InChIInChI=1S/C24H17N5O3S/c1-14-15(2)27-22(17(11-25)21(14)19-9-6-10-32-19)28-23(31)18(12-26)24-29(20(30)13-33-24)16-7-4-3-5-8-16/h3-10H,13H2,1-2H3,(H,27,28,31)/b24-18+
InChIKeyLJJAUANXZUEHTF-HKOYGPOVSA-N
MW455.50 g/mol
LogP4.28
Rot. Bonds4

About (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

(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 (PubChem CID 139232350) has the molecular formula C24H17N5O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID139232350
Molecular FormulaC24H17N5O3S
Molecular Weight455.50 g/mol
Exact Mass455.11
IUPAC Name(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
SMILESCc1nc(NC(=O)/C(C#N)=C2/SCC(=O)N2c2ccccc2)c(C#N)c(-c2ccco2)c1C
InChIInChI=1S/C24H17N5O3S/c1-14-15(2)27-22(17(11-25)21(14)19-9-6-10-32-19)28-23(31)18(12-26)24-29(20(30)13-33-24)16-7-4-3-5-8-16/h3-10H,13H2,1-2H3,(H,27,28,31)/b24-18+
InChIKeyLJJAUANXZUEHTF-HKOYGPOVSA-N
XLogP4.28
TPSA123.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(NC(=O)/C(C#N)=C2/SCC(=O)N2c2ccccc2)c(C#N)c(-c2ccco2)c1C.
What is the InChIKey of (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?
The InChIKey is LJJAUANXZUEHTF-HKOYGPOVSA-N. The full InChI is InChI=1S/C24H17N5O3S/c1-14-15(2)27-22(17(11-25)21(14)19-9-6-10-32-19)28-23(31)18(12-26)24-29(20(30)13-33-24)16-7-4-3-5-8-16/h3-10H,13H2,1-2H3,(H,27,28,31)/b24-18+.
What are the key properties of (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?
(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 has a molecular weight of 455.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 139232350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).