1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one

C7H9N3O2S — CID 76732272

IUPAC1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one
SMILESCC(=O)C(=NCO)c1csc(N)n1
InChIInChI=1S/C7H9N3O2S/c1-4(12)6(9-3-11)5-2-13-7(8)10-5/h2,11H,3H2,1H3,(H2,8,10)
InChIKeyAFXPRMPDQIBSAA-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.05
Rot. Bonds3

About 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one (PubChem CID 76732272) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one
PubChem CID76732272
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one
SMILESCC(=O)C(=NCO)c1csc(N)n1
InChIInChI=1S/C7H9N3O2S/c1-4(12)6(9-3-11)5-2-13-7(8)10-5/h2,11H,3H2,1H3,(H2,8,10)
InChIKeyAFXPRMPDQIBSAA-UHFFFAOYSA-N
XLogP0.05
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxopropoxyimino)acetamide
CID 89243139
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate
CID 56631169
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
2-acetyloxyimino-2-(2-amino-1,3-thiazol-4-yl)acetic acid;dihydrochloride
CID 173277547
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 149383039
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
(2E)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 154043594
2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 123144089
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
CID 59874410

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one (CID 76732272) is 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one is CC(=O)C(=NCO)c1csc(N)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one?
The InChIKey is AFXPRMPDQIBSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4(12)6(9-3-11)5-2-13-7(8)10-5/h2,11H,3H2,1H3,(H2,8,10).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one has a molecular weight of 199.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one is sourced from PubChem (CID 76732272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).