6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane

C15H22N2OS — CID 75497434

IUPAC6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane
SMILESC1Cc2nc(CN3CCOCC34CCCC4)sc2C1
InChIInChI=1S/C15H22N2OS/c1-2-7-15(6-1)11-18-9-8-17(15)10-14-16-12-4-3-5-13(12)19-14/h1-11H2
InChIKeyOHWOGXRRGGWGIJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.78
Rot. Bonds2

About 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane

6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane (PubChem CID 75497434) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane
PubChem CID75497434
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane
SMILESC1Cc2nc(CN3CCOCC34CCCC4)sc2C1
InChIInChI=1S/C15H22N2OS/c1-2-7-15(6-1)11-18-9-8-17(15)10-14-16-12-4-3-5-13(12)19-14/h1-11H2
InChIKeyOHWOGXRRGGWGIJ-UHFFFAOYSA-N
XLogP2.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane?
The IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane (CID 75497434) is 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane is C1Cc2nc(CN3CCOCC34CCCC4)sc2C1.
What is the InChIKey of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane?
The InChIKey is OHWOGXRRGGWGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-7-15(6-1)11-18-9-8-17(15)10-14-16-12-4-3-5-13(12)19-14/h1-11H2.
What are the key properties of 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane?
6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane has a molecular weight of 278.42 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-9-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 75497434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).