2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C15H22N2OS — CID 65322398

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(N3CCCC4CCCC43)nc21
InChIInChI=1S/C15H22N2OS/c18-12-7-2-8-13-14(12)16-15(19-13)17-9-3-5-10-4-1-6-11(10)17/h10-12,18H,1-9H2
InChIKeyUXEIBVGQASOAOA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.28
Rot. Bonds1

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 65322398) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID65322398
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(N3CCCC4CCCC43)nc21
InChIInChI=1S/C15H22N2OS/c18-12-7-2-8-13-14(12)16-15(19-13)17-9-3-5-10-4-1-6-11(10)17/h10-12,18H,1-9H2
InChIKeyUXEIBVGQASOAOA-UHFFFAOYSA-N
XLogP3.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 65322398) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2sc(N3CCCC4CCCC43)nc21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is UXEIBVGQASOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-12-7-2-8-13-14(12)16-15(19-13)17-9-3-5-10-4-1-6-11(10)17/h10-12,18H,1-9H2.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 278.42 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 65322398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).