2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C24H18N4O2S2 — CID 1258567

IUPAC2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2C#N)cc1
InChIInChI=1S/C24H18N4O2S2/c1-30-18-9-7-16(8-10-18)19-13-21(17-5-3-2-4-6-17)27-23(20(19)14-25)32-15-22(29)28-24-26-11-12-31-24/h2-13H,15H2,1H3,(H,26,28,29)
InChIKeyFMEGASAEILKYTA-UHFFFAOYSA-N
MW458.57 g/mol
LogP5.48
Rot. Bonds7

About 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1258567) has the molecular formula C24H18N4O2S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1258567
Molecular FormulaC24H18N4O2S2
Molecular Weight458.57 g/mol
Exact Mass458.09
IUPAC Name2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2C#N)cc1
InChIInChI=1S/C24H18N4O2S2/c1-30-18-9-7-16(8-10-18)19-13-21(17-5-3-2-4-6-17)27-23(20(19)14-25)32-15-22(29)28-24-26-11-12-31-24/h2-13H,15H2,1H3,(H,26,28,29)
InChIKeyFMEGASAEILKYTA-UHFFFAOYSA-N
XLogP5.48
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_pyr_A(3)', 'substructure': 'N/A'}

Analyze 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 1258567) is 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2C#N)cc1.
What is the InChIKey of 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FMEGASAEILKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S2/c1-30-18-9-7-16(8-10-18)19-13-21(17-5-3-2-4-6-17)27-23(20(19)14-25)32-15-22(29)28-24-26-11-12-31-24/h2-13H,15H2,1H3,(H,26,28,29).
What are the key properties of 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 458.57 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1258567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).