4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C9H14N2O2S — CID 106379635

IUPAC4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(CNCc2csc(=O)[nH]2)COC1
InChIInChI=1S/C9H14N2O2S/c1-9(5-13-6-9)4-10-2-7-3-14-8(12)11-7/h3,10H,2,4-6H2,1H3,(H,11,12)
InChIKeyDVKJHQJUEPWNLE-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.56
Rot. Bonds4

About 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379635) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379635
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(CNCc2csc(=O)[nH]2)COC1
InChIInChI=1S/C9H14N2O2S/c1-9(5-13-6-9)4-10-2-7-3-14-8(12)11-7/h3,10H,2,4-6H2,1H3,(H,11,12)
InChIKeyDVKJHQJUEPWNLE-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 78957647
4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379634
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-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379943
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
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-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380863
4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381046
4-[(3-ethoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381068

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379635) is 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1(CNCc2csc(=O)[nH]2)COC1.
What is the InChIKey of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DVKJHQJUEPWNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(5-13-6-9)4-10-2-7-3-14-8(12)11-7/h3,10H,2,4-6H2,1H3,(H,11,12).
What are the key properties of 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).