6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride

C13H10ClFN2O2S — CID 75539374

IUPAC6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)sc2nc(-c3cccc(F)c3)cn12.Cl
InChIInChI=1S/C13H9FN2O2S.ClH/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-3-2-4-9(14)5-8;/h2-6H,1H3,(H,17,18);1H
InChIKeyGSPUKRNXRZOKCP-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.63
Rot. Bonds2

About 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride

6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride (PubChem CID 75539374) has the molecular formula C13H10ClFN2O2S and a molecular weight of 312.75 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
PubChem CID75539374
Molecular FormulaC13H10ClFN2O2S
Molecular Weight312.75 g/mol
Exact Mass312.01
IUPAC Name6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)sc2nc(-c3cccc(F)c3)cn12.Cl
InChIInChI=1S/C13H9FN2O2S.ClH/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-3-2-4-9(14)5-8;/h2-6H,1H3,(H,17,18);1H
InChIKeyGSPUKRNXRZOKCP-UHFFFAOYSA-N
XLogP3.63
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride (CID 75539374) is 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride is Cc1c(C(=O)O)sc2nc(-c3cccc(F)c3)cn12.Cl.
What is the InChIKey of 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
The InChIKey is GSPUKRNXRZOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S.ClH/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-3-2-4-9(14)5-8;/h2-6H,1H3,(H,17,18);1H.
What are the key properties of 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride has a molecular weight of 312.75 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 75539374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).