4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one

C12H18N2O3S — CID 106380500

IUPAC4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCC3(CC2)OCCO3)cs1
InChIInChI=1S/C12H18N2O3S/c15-11-14-10(8-18-11)7-13-9-1-3-12(4-2-9)16-5-6-17-12/h8-9,13H,1-7H2,(H,14,15)
InChIKeyFATDUPRJRLUOAS-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.21
Rot. Bonds3

About 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380500) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380500
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCC3(CC2)OCCO3)cs1
InChIInChI=1S/C12H18N2O3S/c15-11-14-10(8-18-11)7-13-9-1-3-12(4-2-9)16-5-6-17-12/h8-9,13H,1-7H2,(H,14,15)
InChIKeyFATDUPRJRLUOAS-UHFFFAOYSA-N
XLogP1.21
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380500) is 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCC3(CC2)OCCO3)cs1.
What is the InChIKey of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FATDUPRJRLUOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-11-14-10(8-18-11)7-13-9-1-3-12(4-2-9)16-5-6-17-12/h8-9,13H,1-7H2,(H,14,15).
What are the key properties of 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 270.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).