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

C9H11BrN4O3S2 — CID 106089758

IUPAC5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(CN)oc2Br)s1
InChIInChI=1S/C9H11BrN4O3S2/c1-2-7-12-13-9(18-7)14-19(15,16)6-3-5(4-11)17-8(6)10/h3H,2,4,11H2,1H3,(H,13,14)
InChIKeyLOCYFHYUKXVNNV-UHFFFAOYSA-N
MW367.25 g/mol
LogP1.72
Rot. Bonds5

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

5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide (PubChem CID 106089758) has the molecular formula C9H11BrN4O3S2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
PubChem CID106089758
Molecular FormulaC9H11BrN4O3S2
Molecular Weight367.25 g/mol
Exact Mass365.95
IUPAC Name5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(CN)oc2Br)s1
InChIInChI=1S/C9H11BrN4O3S2/c1-2-7-12-13-9(18-7)14-19(15,16)6-3-5(4-11)17-8(6)10/h3H,2,4,11H2,1H3,(H,13,14)
InChIKeyLOCYFHYUKXVNNV-UHFFFAOYSA-N
XLogP1.72
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-sulfonamide
CID 106089733
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106019046
4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106089699
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089812
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384
5-amino-4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzenesulfonamide
CID 107641445
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106082750
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
3-(aminomethyl)-5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089839
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide (CID 106089758) is 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide is CCc1nnc(NS(=O)(=O)c2cc(CN)oc2Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide?
The InChIKey is LOCYFHYUKXVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O3S2/c1-2-7-12-13-9(18-7)14-19(15,16)6-3-5(4-11)17-8(6)10/h3H,2,4,11H2,1H3,(H,13,14).
What are the key properties of 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide has a molecular weight of 367.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106089758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).