1,3-thiazole-4-carboxylic acid;hydrobromide

C4H4BrNO2S — CID 6603305

IUPAC1,3-thiazole-4-carboxylic acid;hydrobromide
SMILESBr.O=C(O)c1cscn1
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
LogP1.42
Rot. Bonds1

About 1,3-thiazole-4-carboxylic acid;hydrobromide

1,3-thiazole-4-carboxylic acid;hydrobromide (PubChem CID 6603305) has the molecular formula C4H4BrNO2S and a molecular weight of 210.05 g/mol. Its IUPAC name is 1,3-thiazole-4-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name1,3-thiazole-4-carboxylic acid;hydrobromide
PubChem CID6603305
Molecular FormulaC4H4BrNO2S
Molecular Weight210.05 g/mol
Exact Mass208.91
IUPAC Name1,3-thiazole-4-carboxylic acid;hydrobromide
SMILESBr.O=C(O)c1cscn1
InChIInChI=1S/C4H3NO2S.BrH/c6-4(7)3-1-8-2-5-3;/h1-2H,(H,6,7);1H
InChIKeyPTPAIKFTQURKHP-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-4-carboxylic acid;hydrobromide?
The IUPAC name of 1,3-thiazole-4-carboxylic acid;hydrobromide (CID 6603305) is 1,3-thiazole-4-carboxylic acid;hydrobromide.
What is the SMILES notation for 1,3-thiazole-4-carboxylic acid;hydrobromide?
The canonical SMILES for 1,3-thiazole-4-carboxylic acid;hydrobromide is Br.O=C(O)c1cscn1.
What is the InChIKey of 1,3-thiazole-4-carboxylic acid;hydrobromide?
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 1,3-thiazole-4-carboxylic acid;hydrobromide?
1,3-thiazole-4-carboxylic acid;hydrobromide has a molecular weight of 210.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-4-carboxylic acid;hydrobromide is sourced from PubChem (CID 6603305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).