N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C24H25F3N4O2S — CID 58791917

About N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide

N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 58791917) has the molecular formula C24H25F3N4O2S and a molecular weight of 490.55 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 58791917
• Molecular Formula: C24H25F3N4O2S
• Molecular Weight: 490.55 g/mol
• Exact Mass: 490.17
• IUPAC Name: N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
• SMILES: CCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)NC4CC4)nc3)cs2)cc1C(F)(F)F
• InChI: InChI=1S/C24H25F3N4O2S/c1-2-3-4-11-33-21-10-8-17(12-18(21)24(25,26)27)30-23-31-20(14-34-23)15-5-9-19(28-13-15)22(32)29-16-6-7-16/h5,8-10,12-14,16H,2-4,6-7,11H2,1H3,(H,29,32)(H,30,31)
• InChIKey: CVCGYIJSRCANJZ-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.55
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 58791917) is N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide is CCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)NC4CC4)nc3)cs2)cc1C(F)(F)F.

What is the InChIKey of N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

The InChIKey is CVCGYIJSRCANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2S/c1-2-3-4-11-33-21-10-8-17(12-18(21)24(25,26)27)30-23-31-20(14-34-23)15-5-9-19(28-13-15)22(32)29-16-6-7-16/h5,8-10,12-14,16H,2-4,6-7,11H2,1H3,(H,29,32)(H,30,31).

What are the key properties of N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?

N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 6.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58791917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).