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

C17H27F2N3OS — CID 138671842

IUPAC4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(N)CC1)C2
InChIInChI=1S/C17H27F2N3OS/c1-17(18,19)11-23-16-21-14-10-22(9-7-15(14)24-16)8-6-12-2-4-13(20)5-3-12/h12-13H,2-11,20H2,1H3
InChIKeyIFQQFICLYPLCSZ-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.44
Rot. Bonds6

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

4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine (PubChem CID 138671842) has the molecular formula C17H27F2N3OS and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-[2-[2-(2,2-difluoropropoxy)-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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
PubChem CID138671842
Molecular FormulaC17H27F2N3OS
Molecular Weight359.49 g/mol
Exact Mass359.18
IUPAC Name4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(N)CC1)C2
InChIInChI=1S/C17H27F2N3OS/c1-17(18,19)11-23-16-21-14-10-22(9-7-15(14)24-16)8-6-12-2-4-13(20)5-3-12/h12-13H,2-11,20H2,1H3
InChIKeyIFQQFICLYPLCSZ-UHFFFAOYSA-N
XLogP3.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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
[1-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]-2-[4-(pentanoylamino)cyclohexyl]ethyl] formate
CID 138670822
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
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
(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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,2-difluoropropoxy)-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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine (CID 138671842) is 4-[2-[2-(2,2-difluoropropoxy)-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-difluoropropoxy)-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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(N)CC1)C2.
What is the InChIKey of 4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
The InChIKey is IFQQFICLYPLCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3OS/c1-17(18,19)11-23-16-21-14-10-22(9-7-15(14)24-16)8-6-12-2-4-13(20)5-3-12/h12-13H,2-11,20H2,1H3.
What are the key properties of 4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine?
4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine has a molecular weight of 359.49 g/mol, XLogP of 3.44, 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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 138671842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).