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

C6H2ClN2O4S- — CID 19790220

IUPAC2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
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)/p-1
InChIKeyVAJZLXMYFSRUKT-UHFFFAOYSA-M
MW233.61 g/mol
LogP-0.70
Rot. Bonds4

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

2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate (PubChem CID 19790220) has the molecular formula C6H2ClN2O4S- and a molecular weight of 233.61 g/mol. Its IUPAC name is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate.

Molecular Properties

Compound Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
PubChem CID19790220
Molecular FormulaC6H2ClN2O4S-
Molecular Weight233.61 g/mol
Exact Mass232.94
IUPAC Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate
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)/p-1
InChIKeyVAJZLXMYFSRUKT-UHFFFAOYSA-M
XLogP-0.70
TPSA99.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 5-0.70
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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Related Compounds

Ethyl (2-formamido-5-chlorothiazol-4-yl)glyoxylate
CID 14326717
2-(2-Formylamino-5-chlorothiazol-4-yl)-2-oxoacetic Acid
CID 19790221
5-Chloro-2-formamido-4-carboxymethylthiazole
CID 22124383
Ethyl (2-amino-5-chloro-1,3-thiazol-4-yl)oxoacetate
CID 57956641
2-(2-Boc-amino-5-chlorothiazol-4-YL)-2-oxoacetic acid
CID 59731416
Potassium (2-formamido-5-chlorothiazol-4-yl)glyoxylate
CID 86739067
2-(2-Amino-5-chloro-1,3-thiazol-4-yl)-2-oxoacetic acid
CID 87642017
2-[5-Chloro-2-(methylamino)-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 89175245
Ethyl 2-[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 135388023

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate?
The IUPAC name of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate (CID 19790220) is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate.
What is the SMILES notation for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate?
The canonical SMILES for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate 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-oxoacetate?
The InChIKey is VAJZLXMYFSRUKT-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate?
2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate has a molecular weight of 233.61 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoacetate is sourced from PubChem (CID 19790220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).