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

C9H14F3N3O2S2 — CID 63946819

IUPAC2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N3O2S2/c1-5(2)15(4-9(10,11)12)19(16,17)7-6(3)14-8(13)18-7/h5H,4H2,1-3H3,(H2,13,14)
InChIKeyJGXKTKUHSBNZDN-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.00
Rot. Bonds4

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

2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63946819) has the molecular formula C9H14F3N3O2S2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID63946819
Molecular FormulaC9H14F3N3O2S2
Molecular Weight317.36 g/mol
Exact Mass317.05
IUPAC Name2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N3O2S2/c1-5(2)15(4-9(10,11)12)19(16,17)7-6(3)14-8(13)18-7/h5H,4H2,1-3H3,(H2,13,14)
InChIKeyJGXKTKUHSBNZDN-UHFFFAOYSA-N
XLogP2.00
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 63946819) is 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is JGXKTKUHSBNZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S2/c1-5(2)15(4-9(10,11)12)19(16,17)7-6(3)14-8(13)18-7/h5H,4H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 317.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).