3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C15H14N2O4S — CID 4685203

IUPAC3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCOc1cc(C)c(-c2csc3nc(C(=O)O)cn23)cc1OC
InChIInChI=1S/C15H14N2O4S/c1-8-4-12(20-2)13(21-3)5-9(8)11-7-22-15-16-10(14(18)19)6-17(11)15/h4-7H,1-3H3,(H,18,19)
InChIKeyDTAMSQGMMARWEM-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.09
Rot. Bonds4

About 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 4685203) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID4685203
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCOc1cc(C)c(-c2csc3nc(C(=O)O)cn23)cc1OC
InChIInChI=1S/C15H14N2O4S/c1-8-4-12(20-2)13(21-3)5-9(8)11-7-22-15-16-10(14(18)19)6-17(11)15/h4-7H,1-3H3,(H,18,19)
InChIKeyDTAMSQGMMARWEM-UHFFFAOYSA-N
XLogP3.09
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82483165
3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3998124
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
[3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 96668174
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
CID 98021688

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 4685203) is 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is COc1cc(C)c(-c2csc3nc(C(=O)O)cn23)cc1OC.
What is the InChIKey of 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is DTAMSQGMMARWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-8-4-12(20-2)13(21-3)5-9(8)11-7-22-15-16-10(14(18)19)6-17(11)15/h4-7H,1-3H3,(H,18,19).
What are the key properties of 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 4685203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).