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

C11H8NNaO2S — CID 138987564

IUPACsodium 5-benzyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(Cc2ccccc2)s1.[Na+]
InChIInChI=1S/C11H9NO2S.Na/c13-11(14)10-12-7-9(15-10)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1
InChIKeyOMSJHDDYRCMXMN-UHFFFAOYSA-M
MW241.25 g/mol
LogP-1.90
Rot. Bonds3

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

sodium 5-benzyl-1,3-thiazole-2-carboxylate (PubChem CID 138987564) has the molecular formula C11H8NNaO2S and a molecular weight of 241.25 g/mol. Its IUPAC name is sodium 5-benzyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namesodium 5-benzyl-1,3-thiazole-2-carboxylate
PubChem CID138987564
Molecular FormulaC11H8NNaO2S
Molecular Weight241.25 g/mol
Exact Mass241.02
IUPAC Namesodium 5-benzyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(Cc2ccccc2)s1.[Na+]
InChIInChI=1S/C11H9NO2S.Na/c13-11(14)10-12-7-9(15-10)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1
InChIKeyOMSJHDDYRCMXMN-UHFFFAOYSA-M
XLogP-1.90
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 5-benzyl-1,3-thiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Phenylthiazol-2-yl)methanol
CID 273543
(E)-3-[4-(1,3-thiazol-5-ylmethyl)phenyl]prop-2-enoic acid
CID 13727080
5-Phenyl-1,3-thiazole-2-carbaldehyde
CID 13968796
5-Phenyl-1,3-thiazole-2-carboxylic acid
CID 46785017
Sodium 5-phenyl-1,3-thiazole-2-carboxylate
CID 135392109
2-Methyl-5-phenylthiazole
CID 12367510
2-Isopropyl-5-phenylthiazole
CID 18340623
5-Benzyl-1,3-thiazole
CID 18946559
5-Phenyl-2-propylthiazole
CID 24751705
Methyl 5-phenylthiazole-2-carboxylate
CID 118705234
5-Phenylethyl thiazole
CID 129884282
5-(4-Fluorophenyl)thiazole-2-carbaldehyde
CID 53271813

Frequently Asked Questions

What is the IUPAC name of sodium 5-benzyl-1,3-thiazole-2-carboxylate?
The IUPAC name of sodium 5-benzyl-1,3-thiazole-2-carboxylate (CID 138987564) is sodium 5-benzyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for sodium 5-benzyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for sodium 5-benzyl-1,3-thiazole-2-carboxylate is O=C([O-])c1ncc(Cc2ccccc2)s1.[Na+].
What is the InChIKey of sodium 5-benzyl-1,3-thiazole-2-carboxylate?
The InChIKey is OMSJHDDYRCMXMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO2S.Na/c13-11(14)10-12-7-9(15-10)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 5-benzyl-1,3-thiazole-2-carboxylate?
sodium 5-benzyl-1,3-thiazole-2-carboxylate has a molecular weight of 241.25 g/mol, XLogP of -1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-benzyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 138987564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).