2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C24H24N2O3S — CID 3977292

IUPAC2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCCC(C)c1cc(-c2cn3cc(CC(=O)O)sc3n2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-3-16(2)20-11-18(9-10-22(20)29-15-17-7-5-4-6-8-17)21-14-26-13-19(12-23(27)28)30-24(26)25-21/h4-11,13-14,16H,3,12,15H2,1-2H3,(H,27,28)
InChIKeyHXLDDTYQOAROFX-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.78
Rot. Bonds8

About 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 3977292) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID3977292
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCCC(C)c1cc(-c2cn3cc(CC(=O)O)sc3n2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-3-16(2)20-11-18(9-10-22(20)29-15-17-7-5-4-6-8-17)21-14-26-13-19(12-23(27)28)30-24(26)25-21/h4-11,13-14,16H,3,12,15H2,1-2H3,(H,27,28)
InChIKeyHXLDDTYQOAROFX-UHFFFAOYSA-N
XLogP5.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid with MolForge

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Related Compounds

2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4022162
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 5105856
2-[6-(4-chloro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3296332
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3979499
ethyl 2-[6-(3-bromo-4-phenylmethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3642793
ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3993192
6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 174420705
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 3977292) is 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is CCC(C)c1cc(-c2cn3cc(CC(=O)O)sc3n2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is HXLDDTYQOAROFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-3-16(2)20-11-18(9-10-22(20)29-15-17-7-5-4-6-8-17)21-14-26-13-19(12-23(27)28)30-24(26)25-21/h4-11,13-14,16H,3,12,15H2,1-2H3,(H,27,28).
What are the key properties of 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 420.53 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 3977292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).