2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid

C7H7AsN2O5S — CID 173284924

IUPAC2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid
SMILESO=C(O)CON=C(C(=O)O)c1csc([AsH2])n1
InChIInChI=1S/C7H7AsN2O5S/c8-7-9-3(2-16-7)5(6(13)14)10-15-1-4(11)12/h2H,1,8H2,(H,11,12)(H,13,14)
InChIKeyJJIVSQHXDIAZSP-UHFFFAOYSA-N
MW306.13 g/mol
LogP-1.71
Rot. Bonds5

About 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid

2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid (PubChem CID 173284924) has the molecular formula C7H7AsN2O5S and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid.

Molecular Properties

Compound Name2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid
PubChem CID173284924
Molecular FormulaC7H7AsN2O5S
Molecular Weight306.13 g/mol
Exact Mass305.93
IUPAC Name2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid
SMILESO=C(O)CON=C(C(=O)O)c1csc([AsH2])n1
InChIInChI=1S/C7H7AsN2O5S/c8-7-9-3(2-16-7)5(6(13)14)10-15-1-4(11)12/h2H,1,8H2,(H,11,12)(H,13,14)
InChIKeyJJIVSQHXDIAZSP-UHFFFAOYSA-N
XLogP-1.71
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid
CID 14193034
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-chloro-2-oxoethylidene]amino]oxyacetic acid;hydrochloride
CID 85059142
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetic acid
CID 88500468
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetic acid
CID 12766146
(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 135193915
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 10870340
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methylsulfanylmethoxyimino)acetic acid
CID 165345269
2-(2-amino-1,3-thiazol-4-yl)-2-(2,2,2-trifluoroethoxyimino)acetic acid
CID 54296615
2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-(tert-butylamino)-2-oxoethylidene]amino]oxyacetic acid
CID 168784586
sodium;2-(2-amino-1,3-thiazol-4-yl)-2-(cyanomethoxyimino)acetic acid;hydride
CID 173396804
2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 123144089

Frequently Asked Questions

What is the IUPAC name of 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid?
The IUPAC name of 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid (CID 173284924) is 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid.
What is the SMILES notation for 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid?
The canonical SMILES for 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid is O=C(O)CON=C(C(=O)O)c1csc([AsH2])n1.
What is the InChIKey of 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid?
The InChIKey is JJIVSQHXDIAZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7AsN2O5S/c8-7-9-3(2-16-7)5(6(13)14)10-15-1-4(11)12/h2H,1,8H2,(H,11,12)(H,13,14).
What are the key properties of 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid?
2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid has a molecular weight of 306.13 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-arsanyl-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetic acid is sourced from PubChem (CID 173284924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).