2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C16H16N2O4S — CID 3357436

IUPAC2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCOc1cc(-c2cn3cc(CC(=O)O)sc3n2)c(OC)cc1C
InChIInChI=1S/C16H16N2O4S/c1-9-4-14(22-3)11(6-13(9)21-2)12-8-18-7-10(5-15(19)20)23-16(18)17-12/h4,6-8H,5H2,1-3H3,(H,19,20)
InChIKeyMYNRNUYBVFFWLR-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.02
Rot. Bonds5

About 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 3357436) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID3357436
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCOc1cc(-c2cn3cc(CC(=O)O)sc3n2)c(OC)cc1C
InChIInChI=1S/C16H16N2O4S/c1-9-4-14(22-3)11(6-13(9)21-2)12-8-18-7-10(5-15(19)20)23-16(18)17-12/h4,6-8H,5H2,1-3H3,(H,19,20)
InChIKeyMYNRNUYBVFFWLR-UHFFFAOYSA-N
XLogP3.02
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3979499
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
2-[6-(4-chloro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3296332
2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3316115
2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4022162
2-[6-(2-ethoxy-5-methyl-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3564336
2-[6-(2-benzylsulfanyl-5-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3874646
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 5105856
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 98020627

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 3357436) is 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is COc1cc(-c2cn3cc(CC(=O)O)sc3n2)c(OC)cc1C.
What is the InChIKey of 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is MYNRNUYBVFFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-9-4-14(22-3)11(6-13(9)21-2)12-8-18-7-10(5-15(19)20)23-16(18)17-12/h4,6-8H,5H2,1-3H3,(H,19,20).
What are the key properties of 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 332.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 3357436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).