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

C8H12F3N3O3S2 — CID 63946016

IUPAC2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H12F3N3O3S2/c1-5-6(18-7(12)14-5)19(15,16)13-2-3-17-4-8(9,10)11/h13H,2-4H2,1H3,(H2,12,14)
InChIKeyDUGBESSNVNNVAL-UHFFFAOYSA-N
MW319.33 g/mol
LogP0.89
Rot. Bonds6

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

2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 63946016) has the molecular formula C8H12F3N3O3S2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID63946016
Molecular FormulaC8H12F3N3O3S2
Molecular Weight319.33 g/mol
Exact Mass319.03
IUPAC Name2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H12F3N3O3S2/c1-5-6(18-7(12)14-5)19(15,16)13-2-3-17-4-8(9,10)11/h13H,2-4H2,1H3,(H2,12,14)
InChIKeyDUGBESSNVNNVAL-UHFFFAOYSA-N
XLogP0.89
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide (CID 63946016) is 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is DUGBESSNVNNVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3S2/c1-5-6(18-7(12)14-5)19(15,16)13-2-3-17-4-8(9,10)11/h13H,2-4H2,1H3,(H2,12,14).
What are the key properties of 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 319.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).