2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride

C8H6Cl3N3O3S — CID 54260035

IUPAC2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride
SMILESO=C(Cl)C=NOCc1nc(NC(=O)CCl)sc1Cl
InChIInChI=1S/C8H6Cl3N3O3S/c9-1-6(16)14-8-13-4(7(11)18-8)3-17-12-2-5(10)15/h2H,1,3H2,(H,13,14,16)
InChIKeyRCVUCVRASSGVSA-UHFFFAOYSA-N
MW330.58 g/mol
LogP2.24
Rot. Bonds6

About 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride

2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride (PubChem CID 54260035) has the molecular formula C8H6Cl3N3O3S and a molecular weight of 330.58 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride.

Molecular Properties

Compound Name2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride
PubChem CID54260035
Molecular FormulaC8H6Cl3N3O3S
Molecular Weight330.58 g/mol
Exact Mass328.92
IUPAC Name2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride
SMILESO=C(Cl)C=NOCc1nc(NC(=O)CCl)sc1Cl
InChIInChI=1S/C8H6Cl3N3O3S/c9-1-6(16)14-8-13-4(7(11)18-8)3-17-12-2-5(10)15/h2H,1,3H2,(H,13,14,16)
InChIKeyRCVUCVRASSGVSA-UHFFFAOYSA-N
XLogP2.24
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_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

(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide
CID 142784741
(2E)-2-[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetic acid
CID 22817763
2-[2-[(2-chloroacetyl)amino]-5-ethyl-1,3-thiazol-4-yl]acetic acid
CID 141032549
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 154106972
2-chloro-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)acetamide
CID 166431739
2-chloro-N-[4-chloro-2-[(2-chloroacetyl)amino]-8-cyano-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15180057
(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetyl chloride;hydrochloride
CID 19869087
potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride
CID 173279287
2-[(2S,3R)-3-[[2-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl]amino]-4-oxoazetidin-2-yl]sulfanylacetamide
CID 56632120
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
[2,6-bis[(2-chloroacetyl)amino]-4-methoxycarbonyl-1,3-benzothiazol-7-yl]methylideneazanium
CID 143601212
2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
CID 54546949

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride?
The IUPAC name of 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride (CID 54260035) is 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride.
What is the SMILES notation for 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride?
The canonical SMILES for 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride is O=C(Cl)C=NOCc1nc(NC(=O)CCl)sc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride?
The InChIKey is RCVUCVRASSGVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3O3S/c9-1-6(16)14-8-13-4(7(11)18-8)3-17-12-2-5(10)15/h2H,1,3H2,(H,13,14,16).
What are the key properties of 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride?
2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride has a molecular weight of 330.58 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride is sourced from PubChem (CID 54260035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).