hydron;1,3-thiazole-4-carboxylic acid;bromide

C4H4BrNO2S — CID 649828

IUPAChydron;1,3-thiazole-4-carboxylic acid;bromide
SMILESO=C(O)c1cscn1.[Br-].[H+]
InChIInChI=1S/C4H3NO2S.BrH/c6-4(7)3-1-8-2-5-3;/h1-2H,(H,6,7);1H
InChIKeyPTPAIKFTQURKHP-UHFFFAOYSA-N
MW210.05 g/mol
LogP-2.04
Rot. Bonds1

About hydron;1,3-thiazole-4-carboxylic acid;bromide

hydron;1,3-thiazole-4-carboxylic acid;bromide (PubChem CID 649828) has the molecular formula C4H4BrNO2S and a molecular weight of 210.05 g/mol. Its IUPAC name is hydron;1,3-thiazole-4-carboxylic acid;bromide.

Molecular Properties

Compound Namehydron;1,3-thiazole-4-carboxylic acid;bromide
PubChem CID649828
Molecular FormulaC4H4BrNO2S
Molecular Weight210.05 g/mol
Exact Mass208.91
IUPAC Namehydron;1,3-thiazole-4-carboxylic acid;bromide
SMILESO=C(O)c1cscn1.[Br-].[H+]
InChIInChI=1S/C4H3NO2S.BrH/c6-4(7)3-1-8-2-5-3;/h1-2H,(H,6,7);1H
InChIKeyPTPAIKFTQURKHP-UHFFFAOYSA-N
XLogP-2.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.05
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze hydron;1,3-thiazole-4-carboxylic acid;bromide 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 hydron;1,3-thiazole-4-carboxylic acid;bromide?
The IUPAC name of hydron;1,3-thiazole-4-carboxylic acid;bromide (CID 649828) is hydron;1,3-thiazole-4-carboxylic acid;bromide.
What is the SMILES notation for hydron;1,3-thiazole-4-carboxylic acid;bromide?
The canonical SMILES for hydron;1,3-thiazole-4-carboxylic acid;bromide is O=C(O)c1cscn1.[Br-].[H+].
What is the InChIKey of hydron;1,3-thiazole-4-carboxylic acid;bromide?
The InChIKey is PTPAIKFTQURKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S.BrH/c6-4(7)3-1-8-2-5-3;/h1-2H,(H,6,7);1H.
What are the key properties of hydron;1,3-thiazole-4-carboxylic acid;bromide?
hydron;1,3-thiazole-4-carboxylic acid;bromide has a molecular weight of 210.05 g/mol, XLogP of -2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1,3-thiazole-4-carboxylic acid;bromide is sourced from PubChem (CID 649828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).