4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one

C11H18N2O3S — CID 106380331

IUPAC4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1OC
InChIInChI=1S/C11H18N2O3S/c1-3-16-9-4-8(10(9)15-2)12-5-7-6-17-11(14)13-7/h6,8-10,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyXPPIRUXXCGZOBI-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.72
Rot. Bonds6

About 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380331) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380331
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1OC
InChIInChI=1S/C11H18N2O3S/c1-3-16-9-4-8(10(9)15-2)12-5-7-6-17-11(14)13-7/h6,8-10,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyXPPIRUXXCGZOBI-UHFFFAOYSA-N
XLogP0.72
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379865
4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379867
4-[(3-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380102
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380748
4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381808
4-[[(4-amino-3-methoxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381888

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380331) is 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(NCc2csc(=O)[nH]2)C1OC.
What is the InChIKey of 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XPPIRUXXCGZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-16-9-4-8(10(9)15-2)12-5-7-6-17-11(14)13-7/h6,8-10,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 258.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).