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

C23H30F2N4O2S — CID 158356545

IUPAC2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3ccnnc3)CC1)C2
InChIInChI=1S/C23H30F2N4O2S/c1-23(24,25)15-31-22-28-19-14-29(11-8-21(19)32-22)10-7-16-2-4-17(5-3-16)12-20(30)18-6-9-26-27-13-18/h6,9,13,16-17H,2-5,7-8,10-12,14-15H2,1H3
InChIKeyGSYGWHRDYDTFEC-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.79
Rot. Bonds9

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

2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone (PubChem CID 158356545) has the molecular formula C23H30F2N4O2S and a molecular weight of 464.58 g/mol. Its IUPAC name is 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone
PubChem CID158356545
Molecular FormulaC23H30F2N4O2S
Molecular Weight464.58 g/mol
Exact Mass464.21
IUPAC Name2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3ccnnc3)CC1)C2
InChIInChI=1S/C23H30F2N4O2S/c1-23(24,25)15-31-22-28-19-14-29(11-8-21(19)32-22)10-7-16-2-4-17(5-3-16)12-20(30)18-6-9-26-27-13-18/h6,9,13,16-17H,2-5,7-8,10-12,14-15H2,1H3
InChIKeyGSYGWHRDYDTFEC-UHFFFAOYSA-N
XLogP4.79
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one
CID 162171065
6-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one
CID 160899531
1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-4-methylpent-3-en-2-one
CID 159613086
4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one
CID 157109988
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
(E)-1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-4-pyrimidin-5-ylbut-3-en-2-one
CID 162142082
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138671999
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,3-thiazol-2-yl)acetamide
CID 138670439
1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one
CID 158266892
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methylindazole-6-carboxamide
CID 138671638
N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide
CID 155347274
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(5-fluoro-1-methylpyrazol-4-yl)acetamide
CID 138670887

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone?
The IUPAC name of 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone (CID 158356545) is 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3ccnnc3)CC1)C2.
What is the InChIKey of 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone?
The InChIKey is GSYGWHRDYDTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O2S/c1-23(24,25)15-31-22-28-19-14-29(11-8-21(19)32-22)10-7-16-2-4-17(5-3-16)12-20(30)18-6-9-26-27-13-18/h6,9,13,16-17H,2-5,7-8,10-12,14-15H2,1H3.
What are the key properties of 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone?
2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone has a molecular weight of 464.58 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone is sourced from PubChem (CID 158356545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).