sodium 5-phenyl-1,3-thiazole-2-carboxylate

C10H6NNaO2S — CID 135392109

IUPACsodium 5-phenyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(-c2ccccc2)s1.[Na+]
InChIInChI=1S/C10H7NO2S.Na/c12-10(13)9-11-6-8(14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyRRSMXMVNORFALM-UHFFFAOYSA-M
MW227.22 g/mol
LogP-1.82
Rot. Bonds2

About sodium 5-phenyl-1,3-thiazole-2-carboxylate

sodium 5-phenyl-1,3-thiazole-2-carboxylate (PubChem CID 135392109) has the molecular formula C10H6NNaO2S and a molecular weight of 227.22 g/mol. Its IUPAC name is sodium 5-phenyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namesodium 5-phenyl-1,3-thiazole-2-carboxylate
PubChem CID135392109
Molecular FormulaC10H6NNaO2S
Molecular Weight227.22 g/mol
Exact Mass227.00
IUPAC Namesodium 5-phenyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(-c2ccccc2)s1.[Na+]
InChIInChI=1S/C10H7NO2S.Na/c12-10(13)9-11-6-8(14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyRRSMXMVNORFALM-UHFFFAOYSA-M
XLogP-1.82
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenylthiazole
CID 595209
(5-Phenylthiazol-2-yl)methanol
CID 273543
5-Phenyl-1,3-thiazole-2-carbaldehyde
CID 13968796
5-Phenyl-1,3-thiazole-2-carboxylic acid
CID 46785017
Sodium 5-benzyl-1,3-thiazole-2-carboxylate
CID 138987564
5-Phenyl-2-(trifluoromethyl)thiazole
CID 138984066
2-Methyl-5-phenylthiazole
CID 12367510
2-Isopropyl-5-phenylthiazole
CID 18340623
5-Phenyl-2-propylthiazole
CID 24751705
Methyl 5-phenylthiazole-2-carboxylate
CID 118705234
5-(4-Fluorophenyl)thiazole-2-carbaldehyde
CID 53271813
1-[5-(4-Fluorophenyl)-1,3-thiazol-2-yl]propan-1-one
CID 89465890

Frequently Asked Questions

What is the IUPAC name of sodium 5-phenyl-1,3-thiazole-2-carboxylate?
The IUPAC name of sodium 5-phenyl-1,3-thiazole-2-carboxylate (CID 135392109) is sodium 5-phenyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for sodium 5-phenyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for sodium 5-phenyl-1,3-thiazole-2-carboxylate is O=C([O-])c1ncc(-c2ccccc2)s1.[Na+].
What is the InChIKey of sodium 5-phenyl-1,3-thiazole-2-carboxylate?
The InChIKey is RRSMXMVNORFALM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO2S.Na/c12-10(13)9-11-6-8(14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 5-phenyl-1,3-thiazole-2-carboxylate?
sodium 5-phenyl-1,3-thiazole-2-carboxylate has a molecular weight of 227.22 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-phenyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 135392109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).