sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride

C4H3ClNNaO2S — CID 174957942

IUPACsodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride
SMILESO=C(O)c1cc(Cl)ns1.[H-].[Na+]
InChIInChI=1S/C4H2ClNO2S.Na.H/c5-3-1-2(4(7)8)9-6-3;;/h1H,(H,7,8);;/q;+1;-1
InChIKeyWCQKVGKGFJAKQM-UHFFFAOYSA-N
MW187.58 g/mol
LogP-1.39
Rot. Bonds1

About sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride

sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride (PubChem CID 174957942) has the molecular formula C4H3ClNNaO2S and a molecular weight of 187.58 g/mol. Its IUPAC name is sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride
PubChem CID174957942
Molecular FormulaC4H3ClNNaO2S
Molecular Weight187.58 g/mol
Exact Mass186.95
IUPAC Namesodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride
SMILESO=C(O)c1cc(Cl)ns1.[H-].[Na+]
InChIInChI=1S/C4H2ClNO2S.Na.H/c5-3-1-2(4(7)8)9-6-3;;/h1H,(H,7,8);;/q;+1;-1
InChIKeyWCQKVGKGFJAKQM-UHFFFAOYSA-N
XLogP-1.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride?
The IUPAC name of sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride (CID 174957942) is sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride.
What is the SMILES notation for sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride?
The canonical SMILES for sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride is O=C(O)c1cc(Cl)ns1.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride?
The InChIKey is WCQKVGKGFJAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO2S.Na.H/c5-3-1-2(4(7)8)9-6-3;;/h1H,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride?
sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride has a molecular weight of 187.58 g/mol, XLogP of -1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride is sourced from PubChem (CID 174957942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).