sodium 2-(methylamino)-1,3-thiazole-4-carboxylate

C5H5N2NaO2S — CID 167735249

IUPACsodium 2-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCNc1nc(C(=O)[O-])cs1.[Na+]
InChIInChI=1S/C5H6N2O2S.Na/c1-6-5-7-3(2-10-5)4(8)9;/h2H,1H3,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyYIZWWYFGKOMYKT-UHFFFAOYSA-M
MW180.16 g/mol
LogP-3.45
Rot. Bonds2

About sodium 2-(methylamino)-1,3-thiazole-4-carboxylate

sodium 2-(methylamino)-1,3-thiazole-4-carboxylate (PubChem CID 167735249) has the molecular formula C5H5N2NaO2S and a molecular weight of 180.16 g/mol. Its IUPAC name is sodium 2-(methylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namesodium 2-(methylamino)-1,3-thiazole-4-carboxylate
PubChem CID167735249
Molecular FormulaC5H5N2NaO2S
Molecular Weight180.16 g/mol
Exact Mass180.00
IUPAC Namesodium 2-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCNc1nc(C(=O)[O-])cs1.[Na+]
InChIInChI=1S/C5H6N2O2S.Na/c1-6-5-7-3(2-10-5)4(8)9;/h2H,1H3,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyYIZWWYFGKOMYKT-UHFFFAOYSA-M
XLogP-3.45
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(methylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of sodium 2-(methylamino)-1,3-thiazole-4-carboxylate (CID 167735249) is sodium 2-(methylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for sodium 2-(methylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for sodium 2-(methylamino)-1,3-thiazole-4-carboxylate is CNc1nc(C(=O)[O-])cs1.[Na+].
What is the InChIKey of sodium 2-(methylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is YIZWWYFGKOMYKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O2S.Na/c1-6-5-7-3(2-10-5)4(8)9;/h2H,1H3,(H,6,7)(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(methylamino)-1,3-thiazole-4-carboxylate?
sodium 2-(methylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 180.16 g/mol, XLogP of -3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(methylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 167735249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).