3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide

C7H11F3N4O2S2 — CID 103363595

IUPAC3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)F
InChIInChI=1S/C7H11F3N4O2S2/c1-14(2)18(15,16)4-5(11)13-17-6(4)12-3-7(8,9)10/h12H,3H2,1-2H3,(H2,11,13)
InChIKeyVQFIPIDGFJYFKT-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.95
Rot. Bonds4

About 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 103363595) has the molecular formula C7H11F3N4O2S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide
PubChem CID103363595
Molecular FormulaC7H11F3N4O2S2
Molecular Weight304.32 g/mol
Exact Mass304.03
IUPAC Name3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)F
InChIInChI=1S/C7H11F3N4O2S2/c1-14(2)18(15,16)4-5(11)13-17-6(4)12-3-7(8,9)10/h12H,3H2,1-2H3,(H2,11,13)
InChIKeyVQFIPIDGFJYFKT-UHFFFAOYSA-N
XLogP0.95
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide (CID 103363595) is 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)F.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is VQFIPIDGFJYFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S2/c1-14(2)18(15,16)4-5(11)13-17-6(4)12-3-7(8,9)10/h12H,3H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 304.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103363595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).