2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C20H16N2O3S — CID 4022162

IUPAC2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(-c3ccccc3OCc3ccccc3)nc2s1
InChIInChI=1S/C20H16N2O3S/c23-19(24)10-15-11-22-12-17(21-20(22)26-15)16-8-4-5-9-18(16)25-13-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,23,24)
InChIKeyFZUFVEXTLJIGNI-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.27
Rot. Bonds6

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

2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 4022162) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID4022162
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(-c3ccccc3OCc3ccccc3)nc2s1
InChIInChI=1S/C20H16N2O3S/c23-19(24)10-15-11-22-12-17(21-20(22)26-15)16-8-4-5-9-18(16)25-13-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,23,24)
InChIKeyFZUFVEXTLJIGNI-UHFFFAOYSA-N
XLogP4.27
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3977292
2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3316115
2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3357436
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3979499
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
2-[6-(2-ethoxy-5-methyl-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3564336
2-[6-(4-chloro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3296332
6-iodo-2-(2-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 58862468
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
4-[[4-(2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127521

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 4022162) is 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is O=C(O)Cc1cn2cc(-c3ccccc3OCc3ccccc3)nc2s1.
What is the InChIKey of 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is FZUFVEXTLJIGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-19(24)10-15-11-22-12-17(21-20(22)26-15)16-8-4-5-9-18(16)25-13-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,23,24).
What are the key properties of 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 364.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 4022162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).