5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole

C12H17NO2S — CID 91526496

IUPAC5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole
SMILESCc1cc(C2CCC3(CC2)OCCO3)sn1
InChIInChI=1S/C12H17NO2S/c1-9-8-11(16-13-9)10-2-4-12(5-3-10)14-6-7-15-12/h8,10H,2-7H2,1H3
InChIKeyZVFOZHMTMRWSHT-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.85
Rot. Bonds1

About 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole

5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole (PubChem CID 91526496) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole
PubChem CID91526496
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole
SMILESCc1cc(C2CCC3(CC2)OCCO3)sn1
InChIInChI=1S/C12H17NO2S/c1-9-8-11(16-13-9)10-2-4-12(5-3-10)14-6-7-15-12/h8,10H,2-7H2,1H3
InChIKeyZVFOZHMTMRWSHT-UHFFFAOYSA-N
XLogP2.85
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole (CID 91526496) is 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole is Cc1cc(C2CCC3(CC2)OCCO3)sn1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole?
The InChIKey is ZVFOZHMTMRWSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-8-11(16-13-9)10-2-4-12(5-3-10)14-6-7-15-12/h8,10H,2-7H2,1H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole?
5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole has a molecular weight of 239.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole is sourced from PubChem (CID 91526496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).