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

C25H33F2N3O3S — CID 160899531

IUPAC6-[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
SMILESCn1c(C(=O)CC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)cccc1=O
InChIInChI=1S/C25H33F2N3O3S/c1-25(26,27)16-33-24-28-19-15-30(13-11-22(19)34-24)12-10-17-6-8-18(9-7-17)14-21(31)20-4-3-5-23(32)29(20)2/h3-5,17-18H,6-16H2,1-2H3
InChIKeySPHWYOBKRZMFKW-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.70
Rot. Bonds9

About 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

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 (PubChem CID 160899531) has the molecular formula C25H33F2N3O3S and a molecular weight of 493.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID160899531
Molecular FormulaC25H33F2N3O3S
Molecular Weight493.62 g/mol
Exact Mass493.22
IUPAC Name6-[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
SMILESCn1c(C(=O)CC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)cccc1=O
InChIInChI=1S/C25H33F2N3O3S/c1-25(26,27)16-33-24-28-19-15-30(13-11-22(19)34-24)12-10-17-6-8-18(9-7-17)14-21(31)20-4-3-5-23(32)29(20)2/h3-5,17-18H,6-16H2,1-2H3
InChIKeySPHWYOBKRZMFKW-UHFFFAOYSA-N
XLogP4.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 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
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
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
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
(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
5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethene;1-ethyl-6-oxopyridine-2-carbaldehyde;methanamine
CID 145452184
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]-2-methyl-1,3-benzothiazole-7-carboxamide
CID 138671460
N-[(1R,3R)-3-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclopentyl]-2-methylindazole-4-carboxamide
CID 138671634
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(C(=O)CC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)cccc1=O.
What is the InChIKey of 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?
The InChIKey is SPHWYOBKRZMFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N3O3S/c1-25(26,27)16-33-24-28-19-15-30(13-11-22(19)34-24)12-10-17-6-8-18(9-7-17)14-21(31)20-4-3-5-23(32)29(20)2/h3-5,17-18H,6-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 493.62 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160899531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).