N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide

C25H23N3O3S — CID 1138551

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide (PubChem CID 1138551) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide
• PubChem CID: 1138551
• Molecular Formula: C25H23N3O3S
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.15
• IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide
• SMILES: COc1ccc(OC)c(-c2csc(N(CCc3ccccc3)C(=O)c3ccncc3)n2)c1
• InChI: InChI=1S/C25H23N3O3S/c1-30-20-8-9-23(31-2)21(16-20)22-17-32-25(27-22)28(15-12-18-6-4-3-5-7-18)24(29)19-10-13-26-14-11-19/h3-11,13-14,16-17H,12,15H2,1-2H3
• InChIKey: REPITJQOOXTIDM-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide?

The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide (CID 1138551) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide is COc1ccc(OC)c(-c2csc(N(CCc3ccccc3)C(=O)c3ccncc3)n2)c1.

What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide?

The InChIKey is REPITJQOOXTIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-30-20-8-9-23(31-2)21(16-20)22-17-32-25(27-22)28(15-12-18-6-4-3-5-7-18)24(29)19-10-13-26-14-11-19/h3-11,13-14,16-17H,12,15H2,1-2H3.

What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide?

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 1138551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).