2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate

C15H15N3O4S — CID 154810945

IUPAC2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
SMILESCOCCOC(=O)c1nn2cc(-c3ccc(OC)cc3)nc2s1
InChIInChI=1S/C15H15N3O4S/c1-20-7-8-22-14(19)13-17-18-9-12(16-15(18)23-13)10-3-5-11(21-2)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyRHJDIWZJQJBMTI-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.27
Rot. Bonds6

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

2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate (PubChem CID 154810945) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
PubChem CID154810945
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
SMILESCOCCOC(=O)c1nn2cc(-c3ccc(OC)cc3)nc2s1
InChIInChI=1S/C15H15N3O4S/c1-20-7-8-22-14(19)13-17-18-9-12(16-15(18)23-13)10-3-5-11(21-2)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyRHJDIWZJQJBMTI-UHFFFAOYSA-N
XLogP2.27
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 6-(2-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
CID 154810948
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020618
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 20729346
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82484599
2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209493
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209914
[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 20906917
N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide
CID 67221934

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate?
The IUPAC name of 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate (CID 154810945) is 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate is COCCOC(=O)c1nn2cc(-c3ccc(OC)cc3)nc2s1.
What is the InChIKey of 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate?
The InChIKey is RHJDIWZJQJBMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-20-7-8-22-14(19)13-17-18-9-12(16-15(18)23-13)10-3-5-11(21-2)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate?
2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate has a molecular weight of 333.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate is sourced from PubChem (CID 154810945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).