N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

C24H23N3O2S — CID 46528850

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 46528850) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 46528850
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
• SMILES: CN(C)C(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccco1
• InChI: InChI=1S/C24H23N3O2S/c1-27(2)19(20-14-9-15-29-20)16-25-23(28)22-21(17-10-5-3-6-11-17)26-24(30-22)18-12-7-4-8-13-18/h3-15,19H,16H2,1-2H3,(H,25,28)
• InChIKey: PLTBGCCPFNLDQG-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 46528850) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is CN(C)C(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccco1.

What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

The InChIKey is PLTBGCCPFNLDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-27(2)19(20-14-9-15-29-20)16-25-23(28)22-21(17-10-5-3-6-11-17)26-24(30-22)18-12-7-4-8-13-18/h3-15,19H,16H2,1-2H3,(H,25,28).

What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46528850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).