5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide

C11H12BrN3O3S2 — CID 106053348

IUPAC5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)c(Br)o1
InChIInChI=1S/C11H12BrN3O3S2/c12-10-9(4-6(5-13)18-10)20(16,17)15-11-14-7-2-1-3-8(7)19-11/h4H,1-3,5,13H2,(H,14,15)
InChIKeyWMCVXHNIURLRNZ-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.25
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide (PubChem CID 106053348) has the molecular formula C11H12BrN3O3S2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
PubChem CID106053348
Molecular FormulaC11H12BrN3O3S2
Molecular Weight378.27 g/mol
Exact Mass376.95
IUPAC Name5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)c(Br)o1
InChIInChI=1S/C11H12BrN3O3S2/c12-10-9(4-6(5-13)18-10)20(16,17)15-11-14-7-2-1-3-8(7)19-11/h4H,1-3,5,13H2,(H,14,15)
InChIKeyWMCVXHNIURLRNZ-UHFFFAOYSA-N
XLogP2.25
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
CID 106053168
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106019046
5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
CID 106089758
4-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 116528503
5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 3323683
2,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzenesulfonamide
CID 3566516
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106053376
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzenesulfonamide
CID 62152211
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805228
2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-3-sulfonamide
CID 106595764

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide (CID 106053348) is 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)c(Br)o1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide?
The InChIKey is WMCVXHNIURLRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S2/c12-10-9(4-6(5-13)18-10)20(16,17)15-11-14-7-2-1-3-8(7)19-11/h4H,1-3,5,13H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide has a molecular weight of 378.27 g/mol, XLogP of 2.25, 4 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-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106053348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).