2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C13H10ClN3O2S — CID 18860950

IUPAC2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2coc3ccc(Cl)cc23)s1
InChIInChI=1S/C13H10ClN3O2S/c1-7-16-17-13(20-7)15-12(18)4-8-6-19-11-3-2-9(14)5-10(8)11/h2-3,5-6H,4H2,1H3,(H,15,17,18)
InChIKeyXDABOHQZCIXWAD-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.43
Rot. Bonds3

About 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 18860950) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID18860950
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2coc3ccc(Cl)cc23)s1
InChIInChI=1S/C13H10ClN3O2S/c1-7-16-17-13(20-7)15-12(18)4-8-6-19-11-3-2-9(14)5-10(8)11/h2-3,5-6H,4H2,1H3,(H,15,17,18)
InChIKeyXDABOHQZCIXWAD-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-ethyl-1-benzofuran-3-yl)acetamide;N,N-dimethylformamide
CID 9551937
2-(5-ethyl-1-benzofuran-3-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2229605
2-[5-(propan-2-yl)-1-benzofuran-3-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16012831
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16012996
2-(5-methyl-1-benzofuran-3-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16012871
2-(5-ethyl-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16012932
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16012997
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16012838
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16012839
2-(5-methyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16012870
2-(6-methyl-1-benzofuran-3-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16012918
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16012999

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 18860950) is 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cc2coc3ccc(Cl)cc23)s1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XDABOHQZCIXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-7-16-17-13(20-7)15-12(18)4-8-6-19-11-3-2-9(14)5-10(8)11/h2-3,5-6H,4H2,1H3,(H,15,17,18).
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 307.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 18860950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).