3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C12H17N3O2S — CID 70782939

IUPAC3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3nccs3)CC2)OC1=O
InChIInChI=1S/C12H17N3O2S/c1-14-9-12(17-11(14)16)2-5-15(6-3-12)8-10-13-4-7-18-10/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyDWYBOUZQKBFJEI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.56
Rot. Bonds2

About 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70782939) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70782939
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3nccs3)CC2)OC1=O
InChIInChI=1S/C12H17N3O2S/c1-14-9-12(17-11(14)16)2-5-15(6-3-12)8-10-13-4-7-18-10/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyDWYBOUZQKBFJEI-UHFFFAOYSA-N
XLogP1.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70782939) is 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(Cc3nccs3)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DWYBOUZQKBFJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-14-9-12(17-11(14)16)2-5-15(6-3-12)8-10-13-4-7-18-10/h4,7H,2-3,5-6,8-9H2,1H3.
What are the key properties of 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 267.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).