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

C13H10ClFN2O2S — CID 75539389

IUPAC6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)sc2nc(-c3ccccc3F)cn12.Cl
InChIInChI=1S/C13H9FN2O2S.ClH/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-4-2-3-5-9(8)14;/h2-6H,1H3,(H,17,18);1H
InChIKeyNJVRKWWQHCOPDR-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.63
Rot. Bonds2

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

6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride (PubChem CID 75539389) has the molecular formula C13H10ClFN2O2S and a molecular weight of 312.75 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
PubChem CID75539389
Molecular FormulaC13H10ClFN2O2S
Molecular Weight312.75 g/mol
Exact Mass312.01
IUPAC Name6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)sc2nc(-c3ccccc3F)cn12.Cl
InChIInChI=1S/C13H9FN2O2S.ClH/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-4-2-3-5-9(8)14;/h2-6H,1H3,(H,17,18);1H
InChIKeyNJVRKWWQHCOPDR-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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Related Compounds

2-(6-Phenylimidazo(2,1-b)(1,3)thiazol-3-yl)acetic acid
CID 672289
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
Ethyl 3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxylate
CID 853929
Methyl 1-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)carbonyl]piperidine-4-carboxylate
CID 3239381
Ethyl 1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-4-carboxylate
CID 3241552
2-{[4-(2-Fluorophenyl)piperazin-1-yl]carbonyl}-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 3241564
Ethyl 1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-3-carboxylate
CID 3242214
Methyl 1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-4-carboxylate
CID 3244237
Ethyl 4-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate
CID 3245611
1,1,1,3,3,3-Hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
CID 3415122
1,1,1,3,3,3-Hexafluoro-2-{6-phenylimidazo[2,1-b][1,3]thiazol-2-yl}propan-2-ol
CID 3454042
N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029634

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride (CID 75539389) is 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride is Cc1c(C(=O)O)sc2nc(-c3ccccc3F)cn12.Cl.
What is the InChIKey of 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
The InChIKey is NJVRKWWQHCOPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S.ClH/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-4-2-3-5-9(8)14;/h2-6H,1H3,(H,17,18);1H.
What are the key properties of 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride?
6-(2-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-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 75539389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).