2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane

C17H28F2N2OS — CID 145451650

IUPAC2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane
SMILESCC(F)(F)COc1nc2c(s1)CCNC2.CCC1CCCCC1
InChIInChI=1S/C9H12F2N2OS.C8H16/c1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8;1-2-8-6-4-3-5-7-8/h12H,2-5H2,1H3;8H,2-7H2,1H3
InChIKeyTUESVTHHDGGVRI-UHFFFAOYSA-N
MW346.49 g/mol
LogP4.80
Rot. Bonds4

About 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane

2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane (PubChem CID 145451650) has the molecular formula C17H28F2N2OS and a molecular weight of 346.49 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane
PubChem CID145451650
Molecular FormulaC17H28F2N2OS
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane
SMILESCC(F)(F)COc1nc2c(s1)CCNC2.CCC1CCCCC1
InChIInChI=1S/C9H12F2N2OS.C8H16/c1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8;1-2-8-6-4-3-5-7-8/h12H,2-5H2,1H3;8H,2-7H2,1H3
InChIKeyTUESVTHHDGGVRI-UHFFFAOYSA-N
XLogP4.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane 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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane?
The IUPAC name of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane (CID 145451650) is 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane?
The canonical SMILES for 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane is CC(F)(F)COc1nc2c(s1)CCNC2.CCC1CCCCC1.
What is the InChIKey of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane?
The InChIKey is TUESVTHHDGGVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS.C8H16/c1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8;1-2-8-6-4-3-5-7-8/h12H,2-5H2,1H3;8H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane?
2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane has a molecular weight of 346.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;ethylcyclohexane is sourced from PubChem (CID 145451650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).