2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C19H17F3N2O3S — CID 4107138

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 4107138) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
• PubChem CID: 4107138
• Molecular Formula: C19H17F3N2O3S
• Molecular Weight: 410.42 g/mol
• Exact Mass: 410.09
• IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
• SMILES: O=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C19H17F3N2O3S/c20-19(21,22)13-2-1-3-14(11-13)23-18(25)24-6-9-28-17(24)12-4-5-15-16(10-12)27-8-7-26-15/h1-5,10-11,17H,6-9H2,(H,23,25)
• InChIKey: CVWUHAAWFHXKFT-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.42
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 4107138) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1ccc2c(c1)OCCO2.

What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

The InChIKey is CVWUHAAWFHXKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c20-19(21,22)13-2-1-3-14(11-13)23-18(25)24-6-9-28-17(24)12-4-5-15-16(10-12)27-8-7-26-15/h1-5,10-11,17H,6-9H2,(H,23,25).

What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4107138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).