9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine

C19H28F3N3OS — CID 155347344

IUPAC9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine
SMILESNC1CCC2CCC(C1)C2CCN1CCc2sc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C19H28F3N3OS/c20-19(21,22)11-26-18-24-16-10-25(8-6-17(16)27-18)7-5-15-12-1-2-13(15)9-14(23)4-3-12/h12-15H,1-11,23H2
InChIKeyKDRXCVKQGVGTHR-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.99
Rot. Bonds5

About 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine

9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine (PubChem CID 155347344) has the molecular formula C19H28F3N3OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine.

Molecular Properties

Compound Name9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine
PubChem CID155347344
Molecular FormulaC19H28F3N3OS
Molecular Weight403.51 g/mol
Exact Mass403.19
IUPAC Name9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine
SMILESNC1CCC2CCC(C1)C2CCN1CCc2sc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C19H28F3N3OS/c20-19(21,22)11-26-18-24-16-10-25(8-6-17(16)27-18)7-5-15-12-1-2-13(15)9-14(23)4-3-12/h12-15H,1-11,23H2
InChIKeyKDRXCVKQGVGTHR-UHFFFAOYSA-N
XLogP3.99
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine?
The IUPAC name of 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine (CID 155347344) is 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine.
What is the SMILES notation for 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine?
The canonical SMILES for 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine is NC1CCC2CCC(C1)C2CCN1CCc2sc(OCC(F)(F)F)nc2C1.
What is the InChIKey of 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine?
The InChIKey is KDRXCVKQGVGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3OS/c20-19(21,22)11-26-18-24-16-10-25(8-6-17(16)27-18)7-5-15-12-1-2-13(15)9-14(23)4-3-12/h12-15H,1-11,23H2.
What are the key properties of 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine?
9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine has a molecular weight of 403.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[4.2.1]nonan-3-amine is sourced from PubChem (CID 155347344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).