5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

C14H12BrN3O2S — CID 2085072

IUPAC5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1nnc(NC(=O)c2oc3ccc(Br)cc3c2C)s1
InChIInChI=1S/C14H12BrN3O2S/c1-3-11-17-18-14(21-11)16-13(19)12-7(2)9-6-8(15)4-5-10(9)20-12/h4-6H,3H2,1-2H3,(H,16,18,19)
InChIKeyQFYJIAHMWJHZOP-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.17
Rot. Bonds3

About 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2085072) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2085072
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1nnc(NC(=O)c2oc3ccc(Br)cc3c2C)s1
InChIInChI=1S/C14H12BrN3O2S/c1-3-11-17-18-14(21-11)16-13(19)12-7(2)9-6-8(15)4-5-10(9)20-12/h4-6H,3H2,1-2H3,(H,16,18,19)
InChIKeyQFYJIAHMWJHZOP-UHFFFAOYSA-N
XLogP4.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 684730
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 7920318
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16347361
3-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 1245476
3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 830424
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-benzo[g]benzofurancarboxamide
CID 2128498
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2219584
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 4500315
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8918655

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 2085072) is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide is CCc1nnc(NC(=O)c2oc3ccc(Br)cc3c2C)s1.
What is the InChIKey of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QFYJIAHMWJHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-3-11-17-18-14(21-11)16-13(19)12-7(2)9-6-8(15)4-5-10(9)20-12/h4-6H,3H2,1-2H3,(H,16,18,19).
What are the key properties of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 366.24 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2085072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).