sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate

C9H5N2NaO3S2 — CID 23666411

IUPACsodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate
SMILESO=C([O-])C(=O)Nc1nc(-c2cccs2)cs1.[Na+]
InChIInChI=1S/C9H6N2O3S2.Na/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6;/h1-4H,(H,13,14)(H,10,11,12);/q;+1/p-1
InChIKeyWASWDGJWDFNTQL-UHFFFAOYSA-M
MW276.27 g/mol
LogP-2.44
Rot. Bonds2

About sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate

sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 23666411) has the molecular formula C9H5N2NaO3S2 and a molecular weight of 276.27 g/mol. Its IUPAC name is sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Namesodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate
PubChem CID23666411
Molecular FormulaC9H5N2NaO3S2
Molecular Weight276.27 g/mol
Exact Mass275.96
IUPAC Namesodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate
SMILESO=C([O-])C(=O)Nc1nc(-c2cccs2)cs1.[Na+]
InChIInChI=1S/C9H6N2O3S2.Na/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6;/h1-4H,(H,13,14)(H,10,11,12);/q;+1/p-1
InChIKeyWASWDGJWDFNTQL-UHFFFAOYSA-M
XLogP-2.44
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate (CID 23666411) is sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate is O=C([O-])C(=O)Nc1nc(-c2cccs2)cs1.[Na+].
What is the InChIKey of sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is WASWDGJWDFNTQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O3S2.Na/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6;/h1-4H,(H,13,14)(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate?
sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 276.27 g/mol, XLogP of -2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 23666411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).