3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C14H12N2O3S — CID 82227759

IUPAC3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOCc1c(C(=O)O)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C14H12N2O3S/c1-19-8-11-12(13(17)18)20-14-15-10(7-16(11)14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyXYYFIWABJQUXHF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.91
Rot. Bonds4

About 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82227759) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82227759
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOCc1c(C(=O)O)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C14H12N2O3S/c1-19-8-11-12(13(17)18)20-14-15-10(7-16(11)14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyXYYFIWABJQUXHF-UHFFFAOYSA-N
XLogP2.91
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035849
methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224550
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3610143
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035531
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-morpholin-4-ylmethanone
CID 3245660
3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035811
6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539374

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82227759) is 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COCc1c(C(=O)O)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is XYYFIWABJQUXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-8-11-12(13(17)18)20-14-15-10(7-16(11)14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82227759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).