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

C17H24N4OS2 — CID 97372264

IUPAC9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cs1
InChIInChI=1S/C17H24N4OS2/c1-14-19-15(12-24-14)10-20-5-2-17(3-6-20)13-21(7-8-22-17)11-16-18-4-9-23-16/h4,9,12H,2-3,5-8,10-11,13H2,1H3
InChIKeyCXQIGFUQASPTDA-UHFFFAOYSA-N
MW364.54 g/mol
LogP2.78
Rot. Bonds4

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

9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372264) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372264
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC Name9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cs1
InChIInChI=1S/C17H24N4OS2/c1-14-19-15(12-24-14)10-20-5-2-17(3-6-20)13-21(7-8-22-17)11-16-18-4-9-23-16/h4,9,12H,2-3,5-8,10-11,13H2,1H3
InChIKeyCXQIGFUQASPTDA-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372264) is 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1nc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cs1.
What is the InChIKey of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is CXQIGFUQASPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-14-19-15(12-24-14)10-20-5-2-17(3-6-20)13-21(7-8-22-17)11-16-18-4-9-23-16/h4,9,12H,2-3,5-8,10-11,13H2,1H3.
What are the key properties of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 364.54 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).