2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

C12H9N3O3S — CID 98018913

IUPAC2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESCOc1cccc(-c2nn3cc(C(=O)O)nc3s2)c1
InChIInChI=1S/C12H9N3O3S/c1-18-8-4-2-3-7(5-8)10-14-15-6-9(11(16)17)13-12(15)19-10/h2-6H,1H3,(H,16,17)
InChIKeyPNKBRLFQSXLGOU-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.16
Rot. Bonds3

About 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid (PubChem CID 98018913) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
PubChem CID98018913
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESCOc1cccc(-c2nn3cc(C(=O)O)nc3s2)c1
InChIInChI=1S/C12H9N3O3S/c1-18-8-4-2-3-7(5-8)10-14-15-6-9(11(16)17)13-12(15)19-10/h2-6H,1H3,(H,16,17)
InChIKeyPNKBRLFQSXLGOU-UHFFFAOYSA-N
XLogP2.16
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 59535530
2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine
CID 82484613
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
1-tert-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 39095997
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 56965726
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid (CID 98018913) is 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid is COc1cccc(-c2nn3cc(C(=O)O)nc3s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The InChIKey is PNKBRLFQSXLGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c1-18-8-4-2-3-7(5-8)10-14-15-6-9(11(16)17)13-12(15)19-10/h2-6H,1H3,(H,16,17).
What are the key properties of 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid is sourced from PubChem (CID 98018913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).