5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide

C26H25ClF4N6O4S — CID 15949913

About 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide

5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 15949913) has the molecular formula C26H25ClF4N6O4S and a molecular weight of 629.04 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 15949913
• Molecular Formula: C26H25ClF4N6O4S
• Molecular Weight: 629.04 g/mol
• Exact Mass: 628.13
• IUPAC Name: 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2cccc(OC(F)(F)F)c2F)cs1)c1cnc(N2CCN(CC(=O)N3CCOCC3)CC2)c(Cl)c1
• InChI: InChI=1S/C26H25ClF4N6O4S/c27-18-12-16(13-32-23(18)37-6-4-35(5-7-37)14-21(38)36-8-10-40-11-9-36)24(39)34-25-33-19(15-42-25)17-2-1-3-20(22(17)28)41-26(29,30)31/h1-3,12-13,15H,4-11,14H2,(H,33,34,39)
• InChIKey: GBINZYIJZHLSNV-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 100.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.04
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide (CID 15949913) is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2cccc(OC(F)(F)F)c2F)cs1)c1cnc(N2CCN(CC(=O)N3CCOCC3)CC2)c(Cl)c1.

What is the InChIKey of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is GBINZYIJZHLSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF4N6O4S/c27-18-12-16(13-32-23(18)37-6-4-35(5-7-37)14-21(38)36-8-10-40-11-9-36)24(39)34-25-33-19(15-42-25)17-2-1-3-20(22(17)28)41-26(29,30)31/h1-3,12-13,15H,4-11,14H2,(H,33,34,39).

What are the key properties of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide?

5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 629.04 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15949913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).