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

C21H22F5N3OS — CID 176711146

IUPAC2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCc1cc(N2CCc3nc(C(F)(F)F)sc3C2)cc(C)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C21H22F5N3OS/c1-11-5-14(29-4-3-15-16(10-29)31-19(27-15)21(24,25)26)6-12(2)18(11)28-17(30)7-13-8-20(22,23)9-13/h5-6,13H,3-4,7-10H2,1-2H3,(H,28,30)
InChIKeyKAMCVSOXPHOSCG-UHFFFAOYSA-N
MW459.48 g/mol
LogP5.72
Rot. Bonds4

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

2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide (PubChem CID 176711146) has the molecular formula C21H22F5N3OS and a molecular weight of 459.48 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide
PubChem CID176711146
Molecular FormulaC21H22F5N3OS
Molecular Weight459.48 g/mol
Exact Mass459.14
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCc1cc(N2CCc3nc(C(F)(F)F)sc3C2)cc(C)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C21H22F5N3OS/c1-11-5-14(29-4-3-15-16(10-29)31-19(27-15)21(24,25)26)6-12(2)18(11)28-17(30)7-13-8-20(22,23)9-13/h5-6,13H,3-4,7-10H2,1-2H3,(H,28,30)
InChIKeyKAMCVSOXPHOSCG-UHFFFAOYSA-N
XLogP5.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide (CID 176711146) is 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide is Cc1cc(N2CCc3nc(C(F)(F)F)sc3C2)cc(C)c1NC(=O)CC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide?
The InChIKey is KAMCVSOXPHOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5N3OS/c1-11-5-14(29-4-3-15-16(10-29)31-19(27-15)21(24,25)26)6-12(2)18(11)28-17(30)7-13-8-20(22,23)9-13/h5-6,13H,3-4,7-10H2,1-2H3,(H,28,30).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide?
2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide has a molecular weight of 459.48 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 176711146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).