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

C17H19N3OS — CID 90993377

IUPAC2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2cnc(OC3C4CC5CC3CN(C5)C4)s2)nc1
InChIInChI=1S/C17H19N3OS/c1-2-4-18-14(3-1)15-7-19-17(22-15)21-16-12-5-11-6-13(16)10-20(8-11)9-12/h1-4,7,11-13,16H,5-6,8-10H2
InChIKeyVTIWJHBYNLAJRM-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.92
Rot. Bonds3

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

2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole (PubChem CID 90993377) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole
PubChem CID90993377
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2cnc(OC3C4CC5CC3CN(C5)C4)s2)nc1
InChIInChI=1S/C17H19N3OS/c1-2-4-18-14(3-1)15-7-19-17(22-15)21-16-12-5-11-6-13(16)10-20(8-11)9-12/h1-4,7,11-13,16H,5-6,8-10H2
InChIKeyVTIWJHBYNLAJRM-UHFFFAOYSA-N
XLogP2.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.92
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-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole (CID 90993377) is 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole is c1ccc(-c2cnc(OC3C4CC5CC3CN(C5)C4)s2)nc1.
What is the InChIKey of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole?
The InChIKey is VTIWJHBYNLAJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-4-18-14(3-1)15-7-19-17(22-15)21-16-12-5-11-6-13(16)10-20(8-11)9-12/h1-4,7,11-13,16H,5-6,8-10H2.
What are the key properties of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole?
2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 2.92, 3 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-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 90993377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).