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

C10H16N2O2S — CID 106379867

IUPAC4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C10H16N2O2S/c1-2-14-9-3-7(4-9)11-5-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeySJYCNVSSMOOYJE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.09
Rot. Bonds5

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

4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379867) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379867
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C10H16N2O2S/c1-2-14-9-3-7(4-9)11-5-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeySJYCNVSSMOOYJE-UHFFFAOYSA-N
XLogP1.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379634
4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379865
4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380064
4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380092
4-[(3-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380102
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380209
4-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380331
4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380544
4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380743
4-[(4-methoxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380853

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379867) is 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SJYCNVSSMOOYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-14-9-3-7(4-9)11-5-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).