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

C9H14N2O2S — CID 106379865

IUPAC4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C9H14N2O2S/c1-13-8-2-6(3-8)10-4-7-5-14-9(12)11-7/h5-6,8,10H,2-4H2,1H3,(H,11,12)
InChIKeyCLBWEMMVAJRPJP-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.70
Rot. Bonds4

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

4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379865) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379865
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C9H14N2O2S/c1-13-8-2-6(3-8)10-4-7-5-14-9(12)11-7/h5-6,8,10H,2-4H2,1H3,(H,11,12)
InChIKeyCLBWEMMVAJRPJP-UHFFFAOYSA-N
XLogP0.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379867
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-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380331
4-[(3-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380741
4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380743
4-[(4-methoxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380853
4-[(3-ethoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381068
4-[(2-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381135

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379865) is 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is COC1CC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CLBWEMMVAJRPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-8-2-6(3-8)10-4-7-5-14-9(12)11-7/h5-6,8,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).