2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone

C28H33F2N3O2S — CID 157101321

IUPAC2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
SMILESO=C(CC1CCC(CCN2CCc3sc(OC(CF)CF)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C28H33F2N3O2S/c29-16-21(17-30)35-28-32-25-18-33(14-11-27(25)36-28)13-10-19-6-8-20(9-7-19)15-26(34)23-3-1-5-24-22(23)4-2-12-31-24/h1-5,12,19-21H,6-11,13-18H2
InChIKeyAFUHLSIWORWFLP-UHFFFAOYSA-N
MW513.65 g/mol
LogP6.21
Rot. Bonds10

About 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone

2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone (PubChem CID 157101321) has the molecular formula C28H33F2N3O2S and a molecular weight of 513.65 g/mol. Its IUPAC name is 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
PubChem CID157101321
Molecular FormulaC28H33F2N3O2S
Molecular Weight513.65 g/mol
Exact Mass513.23
IUPAC Name2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
SMILESO=C(CC1CCC(CCN2CCc3sc(OC(CF)CF)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C28H33F2N3O2S/c29-16-21(17-30)35-28-32-25-18-33(14-11-27(25)36-28)13-10-19-6-8-20(9-7-19)15-26(34)23-3-1-5-24-22(23)4-2-12-31-24/h1-5,12,19-21H,6-11,13-18H2
InChIKeyAFUHLSIWORWFLP-UHFFFAOYSA-N
XLogP6.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.65
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone with MolForge

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Related Compounds

1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one
CID 161286561
2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 161389833
N-[4-[2-[2-[2-(trifluoromethoxy)ethoxy]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671252
N-[4-[2-(2-methoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671303
N-[4-[2-[2-(3-fluoroprop-1-en-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671130
N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide
CID 145451751
2-[4-[2-[2-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 158049524
2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(3-methyl-2H-indazol-7-yl)ethanone
CID 159049893
2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 162073530
N-[4-[2-[2-(4-methylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671002
N-[(1R,4R)-4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]-3-methylcyclohexyl]quinoline-5-carboxamide
CID 145451333
2-[4-[2-[2-(2-cyclopropyl-1,1-difluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone
CID 147878710

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
The IUPAC name of 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone (CID 157101321) is 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
The canonical SMILES for 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone is O=C(CC1CCC(CCN2CCc3sc(OC(CF)CF)nc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
The InChIKey is AFUHLSIWORWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O2S/c29-16-21(17-30)35-28-32-25-18-33(14-11-27(25)36-28)13-10-19-6-8-20(9-7-19)15-26(34)23-3-1-5-24-22(23)4-2-12-31-24/h1-5,12,19-21H,6-11,13-18H2.
What are the key properties of 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone?
2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone has a molecular weight of 513.65 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone is sourced from PubChem (CID 157101321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).