potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate

C6H2ClKN2O4S — CID 86739067

IUPACpotassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
SMILESO=CNc1nc(C(=O)C(=O)[O-])c(Cl)s1.[K+]
InChIInChI=1S/C6H3ClN2O4S.K/c7-4-2(3(11)5(12)13)9-6(14-4)8-1-10;/h1H,(H,12,13)(H,8,9,10);/q;+1/p-1
InChIKeySIPYUZHVSSUCFW-UHFFFAOYSA-M
MW272.71 g/mol
LogP-3.70
Rot. Bonds4

About potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate

potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate (PubChem CID 86739067) has the molecular formula C6H2ClKN2O4S and a molecular weight of 272.71 g/mol. Its IUPAC name is potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate.

Molecular Properties

Compound Namepotassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
PubChem CID86739067
Molecular FormulaC6H2ClKN2O4S
Molecular Weight272.71 g/mol
Exact Mass271.91
IUPAC Namepotassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
SMILESO=CNc1nc(C(=O)C(=O)[O-])c(Cl)s1.[K+]
InChIInChI=1S/C6H3ClN2O4S.K/c7-4-2(3(11)5(12)13)9-6(14-4)8-1-10;/h1H,(H,12,13)(H,8,9,10);/q;+1/p-1
InChIKeySIPYUZHVSSUCFW-UHFFFAOYSA-M
XLogP-3.70
TPSA99.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 5-3.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate?
The IUPAC name of potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate (CID 86739067) is potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate.
What is the SMILES notation for potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate?
The canonical SMILES for potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate is O=CNc1nc(C(=O)C(=O)[O-])c(Cl)s1.[K+].
What is the InChIKey of potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate?
The InChIKey is SIPYUZHVSSUCFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3ClN2O4S.K/c7-4-2(3(11)5(12)13)9-6(14-4)8-1-10;/h1H,(H,12,13)(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate?
potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate has a molecular weight of 272.71 g/mol, XLogP of -3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate is sourced from PubChem (CID 86739067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).