6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C16H15N3O4S — CID 118068438

IUPAC6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)c2c(C)c(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C16H15N3O4S/c1-8-13-11(21-3)5-9(20-2)6-12(13)23-14(8)10-7-19-15(17-10)24-16(18-19)22-4/h5-7H,1-4H3
InChIKeyXZXVHPZLMKCMFU-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.54
Rot. Bonds4

About 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118068438) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118068438
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)c2c(C)c(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C16H15N3O4S/c1-8-13-11(21-3)5-9(20-2)6-12(13)23-14(8)10-7-19-15(17-10)24-16(18-19)22-4/h5-7H,1-4H3
InChIKeyXZXVHPZLMKCMFU-UHFFFAOYSA-N
XLogP3.54
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 118068438) is 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1cc(OC)c2c(C)c(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XZXVHPZLMKCMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-8-13-11(21-3)5-9(20-2)6-12(13)23-14(8)10-7-19-15(17-10)24-16(18-19)22-4/h5-7H,1-4H3.
What are the key properties of 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 345.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118068438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).