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

C16H25F2N3OS — CID 138671074

IUPAC4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C16H25F2N3OS/c17-15(18)10-22-16-20-13-9-21(8-6-14(13)23-16)7-5-11-1-3-12(19)4-2-11/h11-12,15H,1-10,19H2
InChIKeyGJPOSHACVADHOR-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.05
Rot. Bonds6

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

4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine (PubChem CID 138671074) has the molecular formula C16H25F2N3OS and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
PubChem CID138671074
Molecular FormulaC16H25F2N3OS
Molecular Weight345.46 g/mol
Exact Mass345.17
IUPAC Name4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C16H25F2N3OS/c17-15(18)10-22-16-20-13-9-21(8-6-14(13)23-16)7-5-11-1-3-12(19)4-2-11/h11-12,15H,1-10,19H2
InChIKeyGJPOSHACVADHOR-UHFFFAOYSA-N
XLogP3.05
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138670362
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-methylbut-2-enamide
CID 138670463
N-[3-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclobutyl]acetamide
CID 138670503
2-(2,2,2-Trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
CID 138670629
4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine
CID 138670633
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide
CID 138670825
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-propan-2-yloxypropanamide
CID 138670864
2-(2,2-Difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
CID 138671069
tert-butyl N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate
CID 138671072
(E)-N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]but-2-enamide
CID 138671205
2-cyano-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138671244
2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138671290

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine (CID 138671074) is 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.
What is the InChIKey of 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
The InChIKey is GJPOSHACVADHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3OS/c17-15(18)10-22-16-20-13-9-21(8-6-14(13)23-16)7-5-11-1-3-12(19)4-2-11/h11-12,15H,1-10,19H2.
What are the key properties of 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine has a molecular weight of 345.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 138671074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).