2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C8H12F3N3O2S2 — CID 63946409

IUPAC2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C8H12F3N3O2S2/c1-3-14(4-8(9,10)11)18(15,16)6-5(2)13-7(12)17-6/h3-4H2,1-2H3,(H2,12,13)
InChIKeyUUDQFKVNZIOTLB-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63946409) has the molecular formula C8H12F3N3O2S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID63946409
Molecular FormulaC8H12F3N3O2S2
Molecular Weight303.33 g/mol
Exact Mass303.03
IUPAC Name2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C8H12F3N3O2S2/c1-3-14(4-8(9,10)11)18(15,16)6-5(2)13-7(12)17-6/h3-4H2,1-2H3,(H2,12,13)
InChIKeyUUDQFKVNZIOTLB-UHFFFAOYSA-N
XLogP1.61
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 63946409) is 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UUDQFKVNZIOTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S2/c1-3-14(4-8(9,10)11)18(15,16)6-5(2)13-7(12)17-6/h3-4H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 303.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).