4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one

C12H18N2O2S — CID 114181436

IUPAC4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC3(CCC3)C2)cs1
InChIInChI=1S/C12H18N2O2S/c15-11-14-10(8-17-11)7-13-9-2-5-16-12(6-9)3-1-4-12/h8-9,13H,1-7H2,(H,14,15)
InChIKeyPEEWKHWZCZOJJG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.63
Rot. Bonds3

About 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181436) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID114181436
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC3(CCC3)C2)cs1
InChIInChI=1S/C12H18N2O2S/c15-11-14-10(8-17-11)7-13-9-2-5-16-12(6-9)3-1-4-12/h8-9,13H,1-7H2,(H,14,15)
InChIKeyPEEWKHWZCZOJJG-UHFFFAOYSA-N
XLogP1.63
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 114181436) is 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCOC3(CCC3)C2)cs1.
What is the InChIKey of 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PEEWKHWZCZOJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-11-14-10(8-17-11)7-13-9-2-5-16-12(6-9)3-1-4-12/h8-9,13H,1-7H2,(H,14,15).
What are the key properties of 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 254.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).