(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride

C6H8ClN3O3S — CID 174288958

IUPAC(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride
SMILESCON=CC(=O)Oc1csc(N)n1.Cl
InChIInChI=1S/C6H7N3O3S.ClH/c1-11-8-2-5(10)12-4-3-13-6(7)9-4;/h2-3H,1H3,(H2,7,9);1H
InChIKeyQZHRQZZBZMVMLS-UHFFFAOYSA-N
MW237.67 g/mol
LogP0.68
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride

(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride (PubChem CID 174288958) has the molecular formula C6H8ClN3O3S and a molecular weight of 237.67 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride
PubChem CID174288958
Molecular FormulaC6H8ClN3O3S
Molecular Weight237.67 g/mol
Exact Mass237.00
IUPAC Name(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride
SMILESCON=CC(=O)Oc1csc(N)n1.Cl
InChIInChI=1S/C6H7N3O3S.ClH/c1-11-8-2-5(10)12-4-3-13-6(7)9-4;/h2-3H,1H3,(H2,7,9);1H
InChIKeyQZHRQZZBZMVMLS-UHFFFAOYSA-N
XLogP0.68
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate
CID 88605381
(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate
CID 151561122
(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
CID 87957803
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine
CID 143798534
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]ethanethioic S-acid
CID 154451443
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate;hydrochloride
CID 173328126

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride?
The IUPAC name of (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride (CID 174288958) is (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride is CON=CC(=O)Oc1csc(N)n1.Cl.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride?
The InChIKey is QZHRQZZBZMVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S.ClH/c1-11-8-2-5(10)12-4-3-13-6(7)9-4;/h2-3H,1H3,(H2,7,9);1H.
What are the key properties of (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride?
(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride has a molecular weight of 237.67 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride is sourced from PubChem (CID 174288958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).