potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride

C8H7ClKN3O5S — CID 173279287

IUPACpotassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride
SMILESO=CNc1nc(CC(=O)O/N=C\C(=O)O)c(Cl)s1.[H-].[K+]
InChIInChI=1S/C8H6ClN3O5S.K.H/c9-7-4(12-8(18-7)10-3-13)1-6(16)17-11-2-5(14)15;;/h2-3H,1H2,(H,14,15)(H,10,12,13);;/q;+1;-1/b11-2-;;
InChIKeyAWPBLNYEBCCSSL-GTLORJCOSA-N
MW331.78 g/mol
LogP-2.36
Rot. Bonds6

About potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride

potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride (PubChem CID 173279287) has the molecular formula C8H7ClKN3O5S and a molecular weight of 331.78 g/mol. Its IUPAC name is potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride.

Molecular Properties

Compound Namepotassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride
PubChem CID173279287
Molecular FormulaC8H7ClKN3O5S
Molecular Weight331.78 g/mol
Exact Mass330.94
IUPAC Namepotassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride
SMILESO=CNc1nc(CC(=O)O/N=C\C(=O)O)c(Cl)s1.[H-].[K+]
InChIInChI=1S/C8H6ClN3O5S.K.H/c9-7-4(12-8(18-7)10-3-13)1-6(16)17-11-2-5(14)15;;/h2-3H,1H2,(H,14,15)(H,10,12,13);;/q;+1;-1/b11-2-;;
InChIKeyAWPBLNYEBCCSSL-GTLORJCOSA-N
XLogP-2.36
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride?
The IUPAC name of potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride (CID 173279287) is potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride.
What is the SMILES notation for potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride?
The canonical SMILES for potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride is O=CNc1nc(CC(=O)O/N=C\C(=O)O)c(Cl)s1.[H-].[K+].
What is the InChIKey of potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride?
The InChIKey is AWPBLNYEBCCSSL-GTLORJCOSA-N. The full InChI is InChI=1S/C8H6ClN3O5S.K.H/c9-7-4(12-8(18-7)10-3-13)1-6(16)17-11-2-5(14)15;;/h2-3H,1H2,(H,14,15)(H,10,12,13);;/q;+1;-1/b11-2-;;.
What are the key properties of potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride?
potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride has a molecular weight of 331.78 g/mol, XLogP of -2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride is sourced from PubChem (CID 173279287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).