2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride

C12H10ClN3O2S — CID 142637273

IUPAC2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
SMILESCON=C(C(=O)Cl)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H10ClN3O2S/c1-18-16-10(11(13)17)9-7-19-12(15-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKeyZQMZUKVCRWICPY-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.00
Rot. Bonds5

About 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride

2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride (PubChem CID 142637273) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride.

Molecular Properties

Compound Name2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
PubChem CID142637273
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
SMILESCON=C(C(=O)Cl)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H10ClN3O2S/c1-18-16-10(11(13)17)9-7-19-12(15-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKeyZQMZUKVCRWICPY-UHFFFAOYSA-N
XLogP3.00
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 7156990
[2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl] 2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54189993
(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 141367897
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride
CID 174532970
(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 53364342
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 87453165

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride?
The IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride (CID 142637273) is 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride.
What is the SMILES notation for 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride?
The canonical SMILES for 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride is CON=C(C(=O)Cl)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride?
The InChIKey is ZQMZUKVCRWICPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-18-16-10(11(13)17)9-7-19-12(15-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15).
What are the key properties of 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride?
2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride has a molecular weight of 295.75 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride is sourced from PubChem (CID 142637273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).