6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C21H17ClF3N3O2S — CID 33366468

About 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 33366468) has the molecular formula C21H17ClF3N3O2S and a molecular weight of 467.90 g/mol. Its IUPAC name is 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 33366468
• Molecular Formula: C21H17ClF3N3O2S
• Molecular Weight: 467.90 g/mol
• Exact Mass: 467.07
• IUPAC Name: 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: O=C(c1ccc(Cl)nc1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
• InChI: InChI=1S/C21H17ClF3N3O2S/c22-18-7-6-14(10-26-18)19(29)28(11-16-5-2-8-30-16)20-27-17(12-31-20)13-3-1-4-15(9-13)21(23,24)25/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2/t16-/m1/s1
• InChIKey: WNFKDYWEDKWURH-MRXNPFEDSA-N
• XLogP: 5.70
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.90
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 33366468) is 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(c1ccc(Cl)nc1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1.

What is the InChIKey of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is WNFKDYWEDKWURH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17ClF3N3O2S/c22-18-7-6-14(10-26-18)19(29)28(11-16-5-2-8-30-16)20-27-17(12-31-20)13-3-1-4-15(9-13)21(23,24)25/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2/t16-/m1/s1.

What are the key properties of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?

6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 467.90 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 33366468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).