6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H8BrFN4O2S2 — CID 65435445

IUPAC6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H8BrFN4O2S2/c12-7-2-1-6(5-8(7)13)16-21(18,19)10-9(14)15-11-17(10)3-4-20-11/h1-5,16H,14H2
InChIKeyZVBVHSLEVVWTJO-UHFFFAOYSA-N
MW391.25 g/mol
LogP2.68
Rot. Bonds3

About 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 65435445) has the molecular formula C11H8BrFN4O2S2 and a molecular weight of 391.25 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID65435445
Molecular FormulaC11H8BrFN4O2S2
Molecular Weight391.25 g/mol
Exact Mass389.93
IUPAC Name6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H8BrFN4O2S2/c12-7-2-1-6(5-8(7)13)16-21(18,19)10-9(14)15-11-17(10)3-4-20-11/h1-5,16H,14H2
InChIKeyZVBVHSLEVVWTJO-UHFFFAOYSA-N
XLogP2.68
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 65435445) is 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is ZVBVHSLEVVWTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O2S2/c12-7-2-1-6(5-8(7)13)16-21(18,19)10-9(14)15-11-17(10)3-4-20-11/h1-5,16H,14H2.
What are the key properties of 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 391.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromo-3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 65435445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).