N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide

C25H22F3N3O3S2 — CID 67262660

About N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide

N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide (PubChem CID 67262660) has the molecular formula C25H22F3N3O3S2 and a molecular weight of 533.60 g/mol. Its IUPAC name is N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
• PubChem CID: 67262660
• Molecular Formula: C25H22F3N3O3S2
• Molecular Weight: 533.60 g/mol
• Exact Mass: 533.11
• IUPAC Name: N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
• SMILES: Cc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)s1
• InChI: InChI=1S/C25H22F3N3O3S2/c1-14-30-21(15-4-2-5-16(12-15)25(26,27)28)22(36-14)24(33)31-9-11-35-20(31)13-29-23(32)18-6-3-7-19-17(18)8-10-34-19/h2-7,12,20H,8-11,13H2,1H3,(H,29,32)
• InChIKey: NJFNEBXNZPZYHQ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.60
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?

The IUPAC name of N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide (CID 67262660) is N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide.

What is the SMILES notation for N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?

The canonical SMILES for N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide is Cc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)s1.

What is the InChIKey of N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?

The InChIKey is NJFNEBXNZPZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3S2/c1-14-30-21(15-4-2-5-16(12-15)25(26,27)28)22(36-14)24(33)31-9-11-35-20(31)13-29-23(32)18-6-3-7-19-17(18)8-10-34-19/h2-7,12,20H,8-11,13H2,1H3,(H,29,32).

What are the key properties of N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?

N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide has a molecular weight of 533.60 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 67262660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).