1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one

C20H30F2N2O2S — CID 158301157

IUPAC1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
SMILESCCC(=O)CC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C20H30F2N2O2S/c1-2-16(25)11-15-5-3-14(4-6-15)7-9-24-10-8-18-17(12-24)23-20(27-18)26-13-19(21)22/h14-15,19H,2-13H2,1H3
InChIKeyGMMYLCTUMIJRPC-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.71
Rot. Bonds9

About 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one

1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one (PubChem CID 158301157) has the molecular formula C20H30F2N2O2S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one.

Molecular Properties

Compound Name1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
PubChem CID158301157
Molecular FormulaC20H30F2N2O2S
Molecular Weight400.54 g/mol
Exact Mass400.20
IUPAC Name1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
SMILESCCC(=O)CC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C20H30F2N2O2S/c1-2-16(25)11-15-5-3-14(4-6-15)7-9-24-10-8-18-17(12-24)23-20(27-18)26-13-19(21)22/h14-15,19H,2-13H2,1H3
InChIKeyGMMYLCTUMIJRPC-UHFFFAOYSA-N
XLogP4.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
The IUPAC name of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one (CID 158301157) is 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one.
What is the SMILES notation for 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
The canonical SMILES for 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one is CCC(=O)CC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.
What is the InChIKey of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
The InChIKey is GMMYLCTUMIJRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N2O2S/c1-2-16(25)11-15-5-3-14(4-6-15)7-9-24-10-8-18-17(12-24)23-20(27-18)26-13-19(21)22/h14-15,19H,2-13H2,1H3.
What are the key properties of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one?
1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one has a molecular weight of 400.54 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one is sourced from PubChem (CID 158301157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).