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

C7H10F3N3O2S2 — CID 63946014

IUPAC2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H10F3N3O2S2/c1-4-5(16-6(11)13-4)17(14,15)12-3-2-7(8,9)10/h12H,2-3H2,1H3,(H2,11,13)
InChIKeyUGSIYGITOMVWAD-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.26
Rot. Bonds4

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

2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63946014) has the molecular formula C7H10F3N3O2S2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
PubChem CID63946014
Molecular FormulaC7H10F3N3O2S2
Molecular Weight289.30 g/mol
Exact Mass289.02
IUPAC Name2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H10F3N3O2S2/c1-4-5(16-6(11)13-4)17(14,15)12-3-2-7(8,9)10/h12H,2-3H2,1H3,(H2,11,13)
InChIKeyUGSIYGITOMVWAD-UHFFFAOYSA-N
XLogP1.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide (CID 63946014) is 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UGSIYGITOMVWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S2/c1-4-5(16-6(11)13-4)17(14,15)12-3-2-7(8,9)10/h12H,2-3H2,1H3,(H2,11,13).
What are the key properties of 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 289.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).