3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid

C15H14N2O2S — CID 115332537

IUPAC3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(Cc1cn2ccsc2n1)C(=O)O
InChIInChI=1S/C15H14N2O2S/c1-10-4-2-3-5-12(10)13(14(18)19)8-11-9-17-6-7-20-15(17)16-11/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyAHFMSVDLPRIPGB-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.12
Rot. Bonds4

About 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid

3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid (PubChem CID 115332537) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
PubChem CID115332537
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(Cc1cn2ccsc2n1)C(=O)O
InChIInChI=1S/C15H14N2O2S/c1-10-4-2-3-5-12(10)13(14(18)19)8-11-9-17-6-7-20-15(17)16-11/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyAHFMSVDLPRIPGB-UHFFFAOYSA-N
XLogP3.12
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 97072647
1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 113289157
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115828306
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115332817
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylbutanoic acid
CID 115332527
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
CID 113289114
2-(2-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334426

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid (CID 115332537) is 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid is Cc1ccccc1C(Cc1cn2ccsc2n1)C(=O)O.
What is the InChIKey of 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid?
The InChIKey is AHFMSVDLPRIPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-4-2-3-5-12(10)13(14(18)19)8-11-9-17-6-7-20-15(17)16-11/h2-7,9,13H,8H2,1H3,(H,18,19).
What are the key properties of 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid?
3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid has a molecular weight of 286.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 115332537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).