3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide

C8H13F3N4O2S2 — CID 103360593

IUPAC3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C8H13F3N4O2S2/c1-14(2)19(16,17)5-6(12)13-18-7(5)15(3)4-8(9,10)11/h4H2,1-3H3,(H2,12,13)
InChIKeyUCNWTPXFFMDILJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.97
Rot. Bonds4

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

3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide (PubChem CID 103360593) has the molecular formula C8H13F3N4O2S2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
PubChem CID103360593
Molecular FormulaC8H13F3N4O2S2
Molecular Weight318.35 g/mol
Exact Mass318.04
IUPAC Name3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C8H13F3N4O2S2/c1-14(2)19(16,17)5-6(12)13-18-7(5)15(3)4-8(9,10)11/h4H2,1-3H3,(H2,12,13)
InChIKeyUCNWTPXFFMDILJ-UHFFFAOYSA-N
XLogP0.97
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide (CID 103360593) is 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide is CN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide?
The InChIKey is UCNWTPXFFMDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S2/c1-14(2)19(16,17)5-6(12)13-18-7(5)15(3)4-8(9,10)11/h4H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103360593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).