2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride

C6H6Cl2N2O2S — CID 88673089

IUPAC2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride
SMILESCON=C(C(=O)Cl)c1cscn1.Cl
InChIInChI=1S/C6H5ClN2O2S.ClH/c1-11-9-5(6(7)10)4-2-12-3-8-4;/h2-3H,1H3;1H
InChIKeyLUZDPZJIRWRUTA-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.68
Rot. Bonds3

About 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride

2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride (PubChem CID 88673089) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride.

Molecular Properties

Compound Name2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride
PubChem CID88673089
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride
SMILESCON=C(C(=O)Cl)c1cscn1.Cl
InChIInChI=1S/C6H5ClN2O2S.ClH/c1-11-9-5(6(7)10)4-2-12-3-8-4;/h2-3H,1H3;1H
InChIKeyLUZDPZJIRWRUTA-UHFFFAOYSA-N
XLogP1.68
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride
CID 174532970
2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
CID 142637273
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
2-oxo-2-(1,3-thiazol-4-yl)acetic acid
CID 13187915
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one
CID 130672271
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958
propyl 1,3-thiazole-4-carboxylate
CID 62038839
(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131204212
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 76982257

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride?
The IUPAC name of 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride (CID 88673089) is 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride.
What is the SMILES notation for 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride?
The canonical SMILES for 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride is CON=C(C(=O)Cl)c1cscn1.Cl.
What is the InChIKey of 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride?
The InChIKey is LUZDPZJIRWRUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2S.ClH/c1-11-9-5(6(7)10)4-2-12-3-8-4;/h2-3H,1H3;1H.
What are the key properties of 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride?
2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride has a molecular weight of 241.10 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride is sourced from PubChem (CID 88673089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).