1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one

C16H19F5N4O2S — CID 11952917

IUPAC1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one
SMILESN[C@@H](CC(=O)N1CCc2sc(C(F)(F)F)nc2C1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C16H19F5N4O2S/c17-15(18)3-1-12(26)25(8-15)6-9(22)5-13(27)24-4-2-11-10(7-24)23-14(28-11)16(19,20)21/h9H,1-8,22H2/t9-/m0/s1
InChIKeyWENYBMAVSOLARC-VIFPVBQESA-N
MW426.41 g/mol
LogP2.02
Rot. Bonds4

About 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one

1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one (PubChem CID 11952917) has the molecular formula C16H19F5N4O2S and a molecular weight of 426.41 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one
PubChem CID11952917
Molecular FormulaC16H19F5N4O2S
Molecular Weight426.41 g/mol
Exact Mass426.11
IUPAC Name1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one
SMILESN[C@@H](CC(=O)N1CCc2sc(C(F)(F)F)nc2C1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C16H19F5N4O2S/c17-15(18)3-1-12(26)25(8-15)6-9(22)5-13(27)24-4-2-11-10(7-24)23-14(28-11)16(19,20)21/h9H,1-8,22H2/t9-/m0/s1
InChIKeyWENYBMAVSOLARC-VIFPVBQESA-N
XLogP2.02
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one?
The IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one (CID 11952917) is 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one is N[C@@H](CC(=O)N1CCc2sc(C(F)(F)F)nc2C1)CN1CC(F)(F)CCC1=O.
What is the InChIKey of 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one?
The InChIKey is WENYBMAVSOLARC-VIFPVBQESA-N. The full InChI is InChI=1S/C16H19F5N4O2S/c17-15(18)3-1-12(26)25(8-15)6-9(22)5-13(27)24-4-2-11-10(7-24)23-14(28-11)16(19,20)21/h9H,1-8,22H2/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one?
1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one has a molecular weight of 426.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]-5,5-difluoropiperidin-2-one is sourced from PubChem (CID 11952917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).