N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide

C20H20ClF4N3OS — CID 176711222

About N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide

N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide (PubChem CID 176711222) has the molecular formula C20H20ClF4N3OS and a molecular weight of 461.91 g/mol. Its IUPAC name is N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide
• PubChem CID: 176711222
• Molecular Formula: C20H20ClF4N3OS
• Molecular Weight: 461.91 g/mol
• Exact Mass: 461.10
• IUPAC Name: N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide
• SMILES: CC1(CC(=O)Nc2c(F)cc(N3CCc4nc(C(F)(F)F)sc4C3)cc2Cl)CCC1
• InChI: InChI=1S/C20H20ClF4N3OS/c1-19(4-2-5-19)9-16(29)27-17-12(21)7-11(8-13(17)22)28-6-3-14-15(10-28)30-18(26-14)20(23,24)25/h7-8H,2-6,9-10H2,1H3,(H,27,29)
• InChIKey: DWCWJIAHRRGVGH-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.91
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide?

The IUPAC name of N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide (CID 176711222) is N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide.

What is the SMILES notation for N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide?

The canonical SMILES for N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide is CC1(CC(=O)Nc2c(F)cc(N3CCc4nc(C(F)(F)F)sc4C3)cc2Cl)CCC1.

What is the InChIKey of N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide?

The InChIKey is DWCWJIAHRRGVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF4N3OS/c1-19(4-2-5-19)9-16(29)27-17-12(21)7-11(8-13(17)22)28-6-3-14-15(10-28)30-18(26-14)20(23,24)25/h7-8H,2-6,9-10H2,1H3,(H,27,29).

What are the key properties of N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide?

N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide has a molecular weight of 461.91 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide is sourced from PubChem (CID 176711222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).