4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one

C7H10N2O2S — CID 106380308

IUPAC4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2COC2)cs1
InChIInChI=1S/C7H10N2O2S/c10-7-9-5(4-12-7)1-8-6-2-11-3-6/h4,6,8H,1-3H2,(H,9,10)
InChIKeyAMHFPFGLCWJZGJ-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.08
Rot. Bonds3

About 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380308) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380308
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2COC2)cs1
InChIInChI=1S/C7H10N2O2S/c10-7-9-5(4-12-7)1-8-6-2-11-3-6/h4,6,8H,1-3H2,(H,9,10)
InChIKeyAMHFPFGLCWJZGJ-UHFFFAOYSA-N
XLogP-0.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380681
4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381127
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxetan-3-yl)acetamide
CID 80107944
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380089
4-[(3-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380102
4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380176
4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380747
4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380766
4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380876

Frequently Asked Questions

What is the IUPAC name of 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380308) is 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2COC2)cs1.
What is the InChIKey of 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is AMHFPFGLCWJZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c10-7-9-5(4-12-7)1-8-6-2-11-3-6/h4,6,8H,1-3H2,(H,9,10).
What are the key properties of 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 186.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).