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

C14H10ClN3OS — CID 118068623

IUPAC6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3cc4cc(Cl)c(C)cc4o3)nc2s1
InChIInChI=1S/C14H10ClN3OS/c1-7-3-12-9(4-10(7)15)5-13(19-12)11-6-18-14(16-11)20-8(2)17-18/h3-6H,1-2H3
InChIKeyKDTOSAVSTHKZHM-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.47
Rot. Bonds1

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

6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118068623) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118068623
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3cc4cc(Cl)c(C)cc4o3)nc2s1
InChIInChI=1S/C14H10ClN3OS/c1-7-3-12-9(4-10(7)15)5-13(19-12)11-6-18-14(16-11)20-8(2)17-18/h3-6H,1-2H3
InChIKeyKDTOSAVSTHKZHM-UHFFFAOYSA-N
XLogP4.47
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 118068623) is 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(-c3cc4cc(Cl)c(C)cc4o3)nc2s1.
What is the InChIKey of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KDTOSAVSTHKZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c1-7-3-12-9(4-10(7)15)5-13(19-12)11-6-18-14(16-11)20-8(2)17-18/h3-6H,1-2H3.
What are the key properties of 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 303.77 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118068623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).