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

C11H15BrN4O3S2 — CID 106082750

IUPAC2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2nnc(C)s2)c(Br)o1
InChIInChI=1S/C11H15BrN4O3S2/c1-3-4-13-6-8-5-9(10(12)19-8)21(17,18)16-11-15-14-7(2)20-11/h5,13H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyYJPKZUGCFXEHJB-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.50
Rot. Bonds7

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

2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide (PubChem CID 106082750) has the molecular formula C11H15BrN4O3S2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
PubChem CID106082750
Molecular FormulaC11H15BrN4O3S2
Molecular Weight395.30 g/mol
Exact Mass393.98
IUPAC Name2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2nnc(C)s2)c(Br)o1
InChIInChI=1S/C11H15BrN4O3S2/c1-3-4-13-6-8-5-9(10(12)19-8)21(17,18)16-11-15-14-7(2)20-11/h5,13H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyYJPKZUGCFXEHJB-UHFFFAOYSA-N
XLogP2.50
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084083
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106061132
5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
CID 106089758
2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106018821
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
4-bromo-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91660871
5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide (CID 106082750) is 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide is CCCNCc1cc(S(=O)(=O)Nc2nnc(C)s2)c(Br)o1.
What is the InChIKey of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The InChIKey is YJPKZUGCFXEHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3S2/c1-3-4-13-6-8-5-9(10(12)19-8)21(17,18)16-11-15-14-7(2)20-11/h5,13H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide has a molecular weight of 395.30 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106082750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).