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

C9H8BrN3O2S — CID 874241

IUPAC5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(Br)o2)s1
InChIInChI=1S/C9H8BrN3O2S/c1-2-7-12-13-9(16-7)11-8(14)5-3-4-6(10)15-5/h3-4H,2H2,1H3,(H,11,13,14)
InChIKeyNJXUWNPJFNWEEJ-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.71
Rot. Bonds3

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

5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 874241) has the molecular formula C9H8BrN3O2S and a molecular weight of 302.15 g/mol. Its IUPAC name is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID874241
Molecular FormulaC9H8BrN3O2S
Molecular Weight302.15 g/mol
Exact Mass300.95
IUPAC Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(Br)o2)s1
InChIInChI=1S/C9H8BrN3O2S/c1-2-7-12-13-9(16-7)11-8(14)5-3-4-6(10)15-5/h3-4H,2H2,1H3,(H,11,13,14)
InChIKeyNJXUWNPJFNWEEJ-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55774014
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 2973100
5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 17403780
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 5262182
7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4871288
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410337
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
CID 113250709
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107642755
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 874241) is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCc1nnc(NC(=O)c2ccc(Br)o2)s1.
What is the InChIKey of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is NJXUWNPJFNWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S/c1-2-7-12-13-9(16-7)11-8(14)5-3-4-6(10)15-5/h3-4H,2H2,1H3,(H,11,13,14).
What are the key properties of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 302.15 g/mol, XLogP of 2.71, 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)furan-2-carboxamide is sourced from PubChem (CID 874241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).