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

C8H6BrN3O2S — CID 106854400

IUPAC2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
SMILESCc1nsc(NC(=O)c2ccoc2Br)n1
InChIInChI=1S/C8H6BrN3O2S/c1-4-10-8(15-12-4)11-7(13)5-2-3-14-6(5)9/h2-3H,1H3,(H,10,11,12,13)
InChIKeyIFCPLMMSNUASBS-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.45
Rot. Bonds2

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

2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide (PubChem CID 106854400) has the molecular formula C8H6BrN3O2S and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
PubChem CID106854400
Molecular FormulaC8H6BrN3O2S
Molecular Weight288.13 g/mol
Exact Mass286.94
IUPAC Name2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
SMILESCc1nsc(NC(=O)c2ccoc2Br)n1
InChIInChI=1S/C8H6BrN3O2S/c1-4-10-8(15-12-4)11-7(13)5-2-3-14-6(5)9/h2-3H,1H3,(H,10,11,12,13)
InChIKeyIFCPLMMSNUASBS-UHFFFAOYSA-N
XLogP2.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide (CID 106854400) is 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide is Cc1nsc(NC(=O)c2ccoc2Br)n1.
What is the InChIKey of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The InChIKey is IFCPLMMSNUASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2S/c1-4-10-8(15-12-4)11-7(13)5-2-3-14-6(5)9/h2-3H,1H3,(H,10,11,12,13).
What are the key properties of 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide has a molecular weight of 288.13 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide is sourced from PubChem (CID 106854400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).