4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid

C13H10N2O2S — CID 164581256

IUPAC4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
SMILESCc1cn2cc(-c3ccc(C(=O)O)cc3)nc2s1
InChIInChI=1S/C13H10N2O2S/c1-8-6-15-7-11(14-13(15)18-8)9-2-4-10(5-3-9)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyZRNQWFAVJGULDX-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.07
Rot. Bonds2

About 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid

4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid (PubChem CID 164581256) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
PubChem CID164581256
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
SMILESCc1cn2cc(-c3ccc(C(=O)O)cc3)nc2s1
InChIInChI=1S/C13H10N2O2S/c1-8-6-15-7-11(14-13(15)18-8)9-2-4-10(5-3-9)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyZRNQWFAVJGULDX-UHFFFAOYSA-N
XLogP3.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 164581246
4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 45137593
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378064
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 82063350
4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide
CID 42624174
4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 141417395
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 13351514
2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 5105856
[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate
CID 66587343
4-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 93211518

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid?
The IUPAC name of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid (CID 164581256) is 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid.
What is the SMILES notation for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid?
The canonical SMILES for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid is Cc1cn2cc(-c3ccc(C(=O)O)cc3)nc2s1.
What is the InChIKey of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid?
The InChIKey is ZRNQWFAVJGULDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-6-15-7-11(14-13(15)18-8)9-2-4-10(5-3-9)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid?
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid has a molecular weight of 258.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid is sourced from PubChem (CID 164581256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).