5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine

C5H5BrF3N3O2S2 — CID 114808747

IUPAC5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C5H5BrF3N3O2S2/c6-3-1-10-4(15-3)12-16(13,14)11-2-5(7,8)9/h1,11H,2H2,(H,10,12)
InChIKeyMIFMUAOINMUSKP-UHFFFAOYSA-N
MW340.15 g/mol
LogP1.71
Rot. Bonds4

About 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine

5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114808747) has the molecular formula C5H5BrF3N3O2S2 and a molecular weight of 340.15 g/mol. Its IUPAC name is 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114808747
Molecular FormulaC5H5BrF3N3O2S2
Molecular Weight340.15 g/mol
Exact Mass338.90
IUPAC Name5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C5H5BrF3N3O2S2/c6-3-1-10-4(15-3)12-16(13,14)11-2-5(7,8)9/h1,11H,2H2,(H,10,12)
InChIKeyMIFMUAOINMUSKP-UHFFFAOYSA-N
XLogP1.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine (CID 114808747) is 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine is O=S(=O)(NCC(F)(F)F)Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is MIFMUAOINMUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF3N3O2S2/c6-3-1-10-4(15-3)12-16(13,14)11-2-5(7,8)9/h1,11H,2H2,(H,10,12).
What are the key properties of 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine?
5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 340.15 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114808747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).