(2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride

C6H8ClN4O3PS — CID 118901322

IUPAC(2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride
SMILESCCO/N=C(\C(=O)Cl)c1nsc(NOP)n1
InChIInChI=1S/C6H8ClN4O3PS/c1-2-13-9-3(4(7)12)5-8-6(10-14-15)16-11-5/h2,15H2,1H3,(H,8,10,11)/b9-3+
InChIKeyXFDHGXGPJJKMAA-YCRREMRBSA-N
MW282.65 g/mol
LogP1.18
Rot. Bonds6

About (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride

(2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride (PubChem CID 118901322) has the molecular formula C6H8ClN4O3PS and a molecular weight of 282.65 g/mol. Its IUPAC name is (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride.

Molecular Properties

Compound Name(2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride
PubChem CID118901322
Molecular FormulaC6H8ClN4O3PS
Molecular Weight282.65 g/mol
Exact Mass281.97
IUPAC Name(2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride
SMILESCCO/N=C(\C(=O)Cl)c1nsc(NOP)n1
InChIInChI=1S/C6H8ClN4O3PS/c1-2-13-9-3(4(7)12)5-8-6(10-14-15)16-11-5/h2,15H2,1H3,(H,8,10,11)/b9-3+
InChIKeyXFDHGXGPJJKMAA-YCRREMRBSA-N
XLogP1.18
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[5-(dichlorophosphorylamino)-1,2,4-thiadiazol-3-yl]-2-propoxyiminoacetyl chloride
CID 18601066
(2E)-2-[5-(dichlorophosphorylamino)-1,2,4-thiadiazol-3-yl]-2-(fluoromethoxyimino)acetyl chloride
CID 87585420
sodium (2Z)-2-[5-(diaminophosphorylamino)-1,2,4-thiadiazol-3-yl]-2-ethoxyiminoacetate
CID 23707437
sodium (2Z)-2-[5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl]-2-ethoxyiminoacetate
CID 23707439
(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetyl chloride;hydrochloride
CID 19869087
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
CID 59874410
2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloro-2-oxoethylidene]amino]oxy-2-methylpropanoic acid;hydrochloride
CID 131737859
2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
CID 54314875
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 14477682
methyl 2-ethoxyimino-2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
CID 54036724
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
tert-butyl 2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloro-2-oxoethylidene]amino]oxy-2-methylpropanoate;hydrochloride
CID 86743943

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride?
The IUPAC name of (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride (CID 118901322) is (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride.
What is the SMILES notation for (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride?
The canonical SMILES for (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride is CCO/N=C(\C(=O)Cl)c1nsc(NOP)n1.
What is the InChIKey of (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride?
The InChIKey is XFDHGXGPJJKMAA-YCRREMRBSA-N. The full InChI is InChI=1S/C6H8ClN4O3PS/c1-2-13-9-3(4(7)12)5-8-6(10-14-15)16-11-5/h2,15H2,1H3,(H,8,10,11)/b9-3+.
What are the key properties of (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride?
(2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride has a molecular weight of 282.65 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethoxyimino-2-[5-(phosphanyloxyamino)-1,2,4-thiadiazol-3-yl]acetyl chloride is sourced from PubChem (CID 118901322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).