sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate

C10H9N2NaO3S — CID 135564781

IUPACsodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate
SMILESC[C@]1(C(=O)[O-])CSC(c2ncccc2O)=N1.[Na+]
InChIInChI=1S/C10H10N2O3S.Na/c1-10(9(14)15)5-16-8(12-10)7-6(13)3-2-4-11-7;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1/t10-;/m1./s1
InChIKeyUGJSEILLHZKUBG-HNCPQSOCSA-M
MW260.25 g/mol
LogP-3.21
Rot. Bonds2

About sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate

sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate (PubChem CID 135564781) has the molecular formula C10H9N2NaO3S and a molecular weight of 260.25 g/mol. Its IUPAC name is sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namesodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate
PubChem CID135564781
Molecular FormulaC10H9N2NaO3S
Molecular Weight260.25 g/mol
Exact Mass260.02
IUPAC Namesodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate
SMILESC[C@]1(C(=O)[O-])CSC(c2ncccc2O)=N1.[Na+]
InChIInChI=1S/C10H10N2O3S.Na/c1-10(9(14)15)5-16-8(12-10)7-6(13)3-2-4-11-7;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1/t10-;/m1./s1
InChIKeyUGJSEILLHZKUBG-HNCPQSOCSA-M
XLogP-3.21
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-3.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate?
The IUPAC name of sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate (CID 135564781) is sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate.
What is the SMILES notation for sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate?
The canonical SMILES for sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate is C[C@]1(C(=O)[O-])CSC(c2ncccc2O)=N1.[Na+].
What is the InChIKey of sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate?
The InChIKey is UGJSEILLHZKUBG-HNCPQSOCSA-M. The full InChI is InChI=1S/C10H10N2O3S.Na/c1-10(9(14)15)5-16-8(12-10)7-6(13)3-2-4-11-7;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1/t10-;/m1./s1.
What are the key properties of sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate?
sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate has a molecular weight of 260.25 g/mol, XLogP of -3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4S)-2-(3-hydroxy-2-pyridinyl)-4-methyl-5H-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 135564781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).