2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

C19H19F3N2O2S — CID 24991906

IUPAC2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2cnc(OC3C4CC5CC3CN(C5)C4)s2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)26-15-3-1-12(2-4-15)16-7-23-18(27-16)25-17-13-5-11-6-14(17)10-24(8-11)9-13/h1-4,7,11,13-14,17H,5-6,8-10H2
InChIKeyCEQVAXDTYRGTNA-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.43
Rot. Bonds4

About 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 24991906) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
PubChem CID24991906
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2cnc(OC3C4CC5CC3CN(C5)C4)s2)cc1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)26-15-3-1-12(2-4-15)16-7-23-18(27-16)25-17-13-5-11-6-14(17)10-24(8-11)9-13/h1-4,7,11,13-14,17H,5-6,8-10H2
InChIKeyCEQVAXDTYRGTNA-UHFFFAOYSA-N
XLogP4.43
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 24991906) is 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is FC(F)(F)Oc1ccc(-c2cnc(OC3C4CC5CC3CN(C5)C4)s2)cc1.
What is the InChIKey of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is CEQVAXDTYRGTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)26-15-3-1-12(2-4-15)16-7-23-18(27-16)25-17-13-5-11-6-14(17)10-24(8-11)9-13/h1-4,7,11,13-14,17H,5-6,8-10H2.
What are the key properties of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 396.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 24991906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).