4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C16H22N4OS2 — CID 97372261

IUPAC4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)n1
InChIInChI=1S/C16H22N4OS2/c1-5-19(11-14-17-3-9-22-14)6-2-16(1)13-20(7-8-21-16)12-15-18-4-10-23-15/h3-4,9-10H,1-2,5-8,11-13H2
InChIKeyDTOZGRGRRHZUEH-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.47
Rot. Bonds4

About 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372261) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372261
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC Name4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)n1
InChIInChI=1S/C16H22N4OS2/c1-5-19(11-14-17-3-9-22-14)6-2-16(1)13-20(7-8-21-16)12-15-18-4-10-23-15/h3-4,9-10H,1-2,5-8,11-13H2
InChIKeyDTOZGRGRRHZUEH-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372261) is 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is c1csc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)n1.
What is the InChIKey of 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DTOZGRGRRHZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-5-19(11-14-17-3-9-22-14)6-2-16(1)13-20(7-8-21-16)12-15-18-4-10-23-15/h3-4,9-10H,1-2,5-8,11-13H2.
What are the key properties of 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 350.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).