N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine

C19H28F3N3OS — CID 155347445

IUPACN-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)C2CCN1CCc2sc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C19H28F3N3OS/c1-23-14-8-12-2-3-13(9-14)15(12)4-6-25-7-5-17-16(10-25)24-18(27-17)26-11-19(20,21)22/h12-15,23H,2-11H2,1H3
InChIKeyWOXFEUFBNSKOCF-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.86
Rot. Bonds6

About N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine

N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine (PubChem CID 155347445) has the molecular formula C19H28F3N3OS and a molecular weight of 403.51 g/mol. Its IUPAC name is N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine
PubChem CID155347445
Molecular FormulaC19H28F3N3OS
Molecular Weight403.51 g/mol
Exact Mass403.19
IUPAC NameN-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)C2CCN1CCc2sc(OCC(F)(F)F)nc2C1
InChIInChI=1S/C19H28F3N3OS/c1-23-14-8-12-2-3-13(9-14)15(12)4-6-25-7-5-17-16(10-25)24-18(27-17)26-11-19(20,21)22/h12-15,23H,2-11H2,1H3
InChIKeyWOXFEUFBNSKOCF-UHFFFAOYSA-N
XLogP3.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine (CID 155347445) is N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)C2CCN1CCc2sc(OCC(F)(F)F)nc2C1.
What is the InChIKey of N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine?
The InChIKey is WOXFEUFBNSKOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3OS/c1-23-14-8-12-2-3-13(9-14)15(12)4-6-25-7-5-17-16(10-25)24-18(27-17)26-11-19(20,21)22/h12-15,23H,2-11H2,1H3.
What are the key properties of N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine?
N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine has a molecular weight of 403.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]bicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 155347445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).