(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride

C8H8Cl3N3O3S — CID 174532970

IUPAC(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride
SMILESCO/N=C(\C(=O)Cl)c1csc(N(Cl)C(C)=O)n1.Cl
InChIInChI=1S/C8H7Cl2N3O3S.ClH/c1-4(14)13(10)8-11-5(3-17-8)6(7(9)15)12-16-2;/h3H,1-2H3;1H/b12-6-;
InChIKeyXBGBWWZRAMEWPX-DAMYXMBDSA-N
MW332.60 g/mol
LogP2.19
Rot. Bonds4

About (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride

(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride (PubChem CID 174532970) has the molecular formula C8H8Cl3N3O3S and a molecular weight of 332.60 g/mol. Its IUPAC name is (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride.

Molecular Properties

Compound Name(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride
PubChem CID174532970
Molecular FormulaC8H8Cl3N3O3S
Molecular Weight332.60 g/mol
Exact Mass330.94
IUPAC Name(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride
SMILESCO/N=C(\C(=O)Cl)c1csc(N(Cl)C(C)=O)n1.Cl
InChIInChI=1S/C8H7Cl2N3O3S.ClH/c1-4(14)13(10)8-11-5(3-17-8)6(7(9)15)12-16-2;/h3H,1-2H3;1H/b12-6-;
InChIKeyXBGBWWZRAMEWPX-DAMYXMBDSA-N
XLogP2.19
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 52.19
H-Bond Donors ≤ 50
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': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyimino-2-(1,3-thiazol-4-yl)acetyl chloride;hydrochloride
CID 88673089
2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
CID 142637273
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
(2Z)-2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 173313492
(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 141367897
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-chloro-2-oxoethylidene]amino]oxyacetic acid;hydrochloride
CID 85059142
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride?
The IUPAC name of (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride (CID 174532970) is (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride.
What is the SMILES notation for (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride?
The canonical SMILES for (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride is CO/N=C(\C(=O)Cl)c1csc(N(Cl)C(C)=O)n1.Cl.
What is the InChIKey of (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride?
The InChIKey is XBGBWWZRAMEWPX-DAMYXMBDSA-N. The full InChI is InChI=1S/C8H7Cl2N3O3S.ClH/c1-4(14)13(10)8-11-5(3-17-8)6(7(9)15)12-16-2;/h3H,1-2H3;1H/b12-6-;.
What are the key properties of (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride?
(2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride has a molecular weight of 332.60 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[acetyl(chloro)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl chloride;hydrochloride is sourced from PubChem (CID 174532970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).