2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide

C7H7BrN2O2S — CID 134690901

IUPAC2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide
SMILESBr.Cc1cn2cc(C(=O)O)nc2s1
InChIInChI=1S/C7H6N2O2S.BrH/c1-4-2-9-3-5(6(10)11)8-7(9)12-4;/h2-3H,1H3,(H,10,11);1H
InChIKeyDGUCEEZPENDPNA-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.98
Rot. Bonds1

About 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide

2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide (PubChem CID 134690901) has the molecular formula C7H7BrN2O2S and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide
PubChem CID134690901
Molecular FormulaC7H7BrN2O2S
Molecular Weight263.12 g/mol
Exact Mass261.94
IUPAC Name2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide
SMILESBr.Cc1cn2cc(C(=O)O)nc2s1
InChIInChI=1S/C7H6N2O2S.BrH/c1-4-2-9-3-5(6(10)11)8-7(9)12-4;/h2-3H,1H3,(H,10,11);1H
InChIKeyDGUCEEZPENDPNA-UHFFFAOYSA-N
XLogP1.98
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide?
The IUPAC name of 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide (CID 134690901) is 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide.
What is the SMILES notation for 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide?
The canonical SMILES for 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide is Br.Cc1cn2cc(C(=O)O)nc2s1.
What is the InChIKey of 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide?
The InChIKey is DGUCEEZPENDPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S.BrH/c1-4-2-9-3-5(6(10)11)8-7(9)12-4;/h2-3H,1H3,(H,10,11);1H.
What are the key properties of 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide?
2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide has a molecular weight of 263.12 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;hydrobromide is sourced from PubChem (CID 134690901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).