2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid

C6H3ClN2O4S — CID 19790221

IUPAC2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid
SMILESO=CNc1nc(C(=O)C(=O)O)c(Cl)s1
InChIInChI=1S/C6H3ClN2O4S/c7-4-2(3(11)5(12)13)9-6(14-4)8-1-10/h1H,(H,12,13)(H,8,9,10)
InChIKeyVAJZLXMYFSRUKT-UHFFFAOYSA-N
MW234.62 g/mol
LogP0.63
Rot. Bonds4

About 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid

2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid (PubChem CID 19790221) has the molecular formula C6H3ClN2O4S and a molecular weight of 234.62 g/mol. Its IUPAC name is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid
PubChem CID19790221
Molecular FormulaC6H3ClN2O4S
Molecular Weight234.62 g/mol
Exact Mass233.95
IUPAC Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid
SMILESO=CNc1nc(C(=O)C(=O)O)c(Cl)s1
InChIInChI=1S/C6H3ClN2O4S/c7-4-2(3(11)5(12)13)9-6(14-4)8-1-10/h1H,(H,12,13)(H,8,9,10)
InChIKeyVAJZLXMYFSRUKT-UHFFFAOYSA-N
XLogP0.63
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.62
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid?
The IUPAC name of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid (CID 19790221) is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid is O=CNc1nc(C(=O)C(=O)O)c(Cl)s1.
What is the InChIKey of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid?
The InChIKey is VAJZLXMYFSRUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O4S/c7-4-2(3(11)5(12)13)9-6(14-4)8-1-10/h1H,(H,12,13)(H,8,9,10).
What are the key properties of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid?
2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid has a molecular weight of 234.62 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid is sourced from PubChem (CID 19790221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).