2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid

C13H10N2O2S — CID 82062239

IUPAC2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1cnc2scc(-c3ccccc3)n12
InChIInChI=1S/C13H10N2O2S/c16-12(17)6-10-7-14-13-15(10)11(8-18-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyIHNLHQMBLYVAFT-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid

2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid (PubChem CID 82062239) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
PubChem CID82062239
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1cnc2scc(-c3ccccc3)n12
InChIInChI=1S/C13H10N2O2S/c16-12(17)6-10-7-14-13-15(10)11(8-18-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyIHNLHQMBLYVAFT-UHFFFAOYSA-N
XLogP2.69
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 82061842
2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062252
5-bromo-3-phenylimidazo[2,1-b][1,3]thiazole
CID 165493348
[3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82061918
3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199056
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469776
N-(2-ethylphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5076109
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3469841
3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82062120
N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470131

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid (CID 82062239) is 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid is O=C(O)Cc1cnc2scc(-c3ccccc3)n12.
What is the InChIKey of 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The InChIKey is IHNLHQMBLYVAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-12(17)6-10-7-14-13-15(10)11(8-18-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17).
What are the key properties of 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid has a molecular weight of 258.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid is sourced from PubChem (CID 82062239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).