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

C15H14N2O3S — CID 3979499

IUPAC2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCOc1ccc(-c2cn3cc(CC(=O)O)sc3n2)c(C)c1
InChIInChI=1S/C15H14N2O3S/c1-9-5-10(20-2)3-4-12(9)13-8-17-7-11(6-14(18)19)21-15(17)16-13/h3-5,7-8H,6H2,1-2H3,(H,18,19)
InChIKeyXYSNDKATTPLAHE-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.01
Rot. Bonds4

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

2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 3979499) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID3979499
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCOc1ccc(-c2cn3cc(CC(=O)O)sc3n2)c(C)c1
InChIInChI=1S/C15H14N2O3S/c1-9-5-10(20-2)3-4-12(9)13-8-17-7-11(6-14(18)19)21-15(17)16-13/h3-5,7-8H,6H2,1-2H3,(H,18,19)
InChIKeyXYSNDKATTPLAHE-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
2-[6-(2,5-dimethoxy-4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3357436
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-benzylsulfanyl-5-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3874646
2-[6-(2-ethoxy-5-methyl-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3564336
2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 5105856
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966376
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 59535530

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 3979499) is 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is COc1ccc(-c2cn3cc(CC(=O)O)sc3n2)c(C)c1.
What is the InChIKey of 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is XYSNDKATTPLAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-5-10(20-2)3-4-12(9)13-8-17-7-11(6-14(18)19)21-15(17)16-13/h3-5,7-8H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 302.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 3979499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).