6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole

C14H12ClN3O2S — CID 126729467

IUPAC6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOC1Nn2cc(-c3cc4cc(Cl)c(C)cc4o3)nc2S1
InChIInChI=1S/C14H12ClN3O2S/c1-7-3-11-8(4-9(7)15)5-12(20-11)10-6-18-13(16-10)21-14(17-18)19-2/h3-6,14,17H,1-2H3
InChIKeyZTXXZUYYZKMADT-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.84
Rot. Bonds2

About 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole

6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 126729467) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID126729467
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOC1Nn2cc(-c3cc4cc(Cl)c(C)cc4o3)nc2S1
InChIInChI=1S/C14H12ClN3O2S/c1-7-3-11-8(4-9(7)15)5-12(20-11)10-6-18-13(16-10)21-14(17-18)19-2/h3-6,14,17H,1-2H3
InChIKeyZTXXZUYYZKMADT-UHFFFAOYSA-N
XLogP3.84
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole (CID 126729467) is 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole is COC1Nn2cc(-c3cc4cc(Cl)c(C)cc4o3)nc2S1.
What is the InChIKey of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZTXXZUYYZKMADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-7-3-11-8(4-9(7)15)5-12(20-11)10-6-18-13(16-10)21-14(17-18)19-2/h3-6,14,17H,1-2H3.
What are the key properties of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole?
6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 321.79 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 126729467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).