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

C13H22N2O2S — CID 114181317

IUPAC4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1(C)CC
InChIInChI=1S/C13H22N2O2S/c1-4-13(3)10(6-11(13)17-5-2)14-7-9-8-18-12(16)15-9/h8,10-11,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyWBHWDEGCUJSYTD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.12
Rot. Bonds6

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

4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181317) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181317
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1(C)CC
InChIInChI=1S/C13H22N2O2S/c1-4-13(3)10(6-11(13)17-5-2)14-7-9-8-18-12(16)15-9/h8,10-11,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyWBHWDEGCUJSYTD-UHFFFAOYSA-N
XLogP2.12
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181317) is 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(NCc2csc(=O)[nH]2)C1(C)CC.
What is the InChIKey of 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WBHWDEGCUJSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-13(3)10(6-11(13)17-5-2)14-7-9-8-18-12(16)15-9/h8,10-11,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 270.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).