2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C5H6F3N3O2S2 — CID 91812350

IUPAC2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3O2S2/c6-5(7,8)2-11-15(12,13)3-1-10-4(9)14-3/h1,11H,2H2,(H2,9,10)
InChIKeyUFWJRKPYEUCGGP-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 91812350) has the molecular formula C5H6F3N3O2S2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID91812350
Molecular FormulaC5H6F3N3O2S2
Molecular Weight261.25 g/mol
Exact Mass260.99
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3O2S2/c6-5(7,8)2-11-15(12,13)3-1-10-4(9)14-3/h1,11H,2H2,(H2,9,10)
InChIKeyUFWJRKPYEUCGGP-UHFFFAOYSA-N
XLogP0.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 91812350) is 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is Nc1ncc(S(=O)(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UFWJRKPYEUCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S2/c6-5(7,8)2-11-15(12,13)3-1-10-4(9)14-3/h1,11H,2H2,(H2,9,10).
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 261.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 91812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).