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

C11H14BrN3O3S2 — CID 106019046

IUPAC5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(CN)oc2Br)sc1C
InChIInChI=1S/C11H14BrN3O3S2/c1-3-8-6(2)19-11(14-8)15-20(16,17)9-4-7(5-13)18-10(9)12/h4H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyYYNGRZHBNZUDDX-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.63
Rot. Bonds5

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

5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide (PubChem CID 106019046) has the molecular formula C11H14BrN3O3S2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
PubChem CID106019046
Molecular FormulaC11H14BrN3O3S2
Molecular Weight380.29 g/mol
Exact Mass378.97
IUPAC Name5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(CN)oc2Br)sc1C
InChIInChI=1S/C11H14BrN3O3S2/c1-3-8-6(2)19-11(14-8)15-20(16,17)9-4-7(5-13)18-10(9)12/h4H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyYYNGRZHBNZUDDX-UHFFFAOYSA-N
XLogP2.63
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
CID 106089758
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
2-amino-5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 106491632
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 61472090
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 62153330
5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
CID 61472007
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide (CID 106019046) is 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide is CCc1nc(NS(=O)(=O)c2cc(CN)oc2Br)sc1C.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
The InChIKey is YYNGRZHBNZUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S2/c1-3-8-6(2)19-11(14-8)15-20(16,17)9-4-7(5-13)18-10(9)12/h4H,3,5,13H2,1-2H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide has a molecular weight of 380.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106019046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).