N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

C23H23F3N4O4S — CID 172559944

About N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 172559944) has the molecular formula C23H23F3N4O4S and a molecular weight of 508.52 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
• PubChem CID: 172559944
• Molecular Formula: C23H23F3N4O4S
• Molecular Weight: 508.52 g/mol
• Exact Mass: 508.14
• IUPAC Name: N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
• SMILES: Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nc(C(=O)N2CCN(CCO)CC2)cs1
• InChI: InChI=1S/C23H23F3N4O4S/c1-14-17(12-19(34-14)15-3-2-4-16(11-15)23(24,25)26)20(32)28-22-27-18(13-35-22)21(33)30-7-5-29(6-8-30)9-10-31/h2-4,11-13,31H,5-10H2,1H3,(H,27,28,32)
• InChIKey: WFLOTSSRXOQSFP-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 98.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.52
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?

The IUPAC name of N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 172559944) is N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.

What is the SMILES notation for N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?

The canonical SMILES for N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nc(C(=O)N2CCN(CCO)CC2)cs1.

What is the InChIKey of N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?

The InChIKey is WFLOTSSRXOQSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4S/c1-14-17(12-19(34-14)15-3-2-4-16(11-15)23(24,25)26)20(32)28-22-27-18(13-35-22)21(33)30-7-5-29(6-8-30)9-10-31/h2-4,11-13,31H,5-10H2,1H3,(H,27,28,32).

What are the key properties of N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?

N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 508.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 172559944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).