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

C17H18N2O2S — CID 5105856

IUPAC2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCC(C)Cc1ccc(-c2cn3cc(CC(=O)O)sc3n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-11(2)7-12-3-5-13(6-4-12)15-10-19-9-14(8-16(20)21)22-17(19)18-15/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)
InChIKeyAXQPJENMRFVVMZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.89
Rot. Bonds5

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

2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 5105856) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID5105856
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCC(C)Cc1ccc(-c2cn3cc(CC(=O)O)sc3n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-11(2)7-12-3-5-13(6-4-12)15-10-19-9-14(8-16(20)21)22-17(19)18-15/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)
InChIKeyAXQPJENMRFVVMZ-UHFFFAOYSA-N
XLogP3.89
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-butan-2-yl-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3977292
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3316115
6-(4-heptylphenyl)-2-octylimidazo[2,1-b][1,3]thiazole
CID 70109807
2-[6-(2-benzylsulfanyl-5-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3874646
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4022162
2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3357436
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
CID 164581256
2-benzyl-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991404

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 5105856) is 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is CC(C)Cc1ccc(-c2cn3cc(CC(=O)O)sc3n2)cc1.
What is the InChIKey of 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is AXQPJENMRFVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11(2)7-12-3-5-13(6-4-12)15-10-19-9-14(8-16(20)21)22-17(19)18-15/h3-6,9-11H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 314.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 5105856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).