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

C12H14FN3O2S2 — CID 63945418

IUPAC2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCN(c1ccccc1F)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C12H14FN3O2S2/c1-3-16(10-7-5-4-6-9(10)13)20(17,18)11-8(2)15-12(14)19-11/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyDKJYCTYLGLTFEH-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.39
Rot. Bonds4

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

2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63945418) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63945418
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCN(c1ccccc1F)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C12H14FN3O2S2/c1-3-16(10-7-5-4-6-9(10)13)20(17,18)11-8(2)15-12(14)19-11/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyDKJYCTYLGLTFEH-UHFFFAOYSA-N
XLogP2.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 63945418) is 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is CCN(c1ccccc1F)S(=O)(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DKJYCTYLGLTFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-3-16(10-7-5-4-6-9(10)13)20(17,18)11-8(2)15-12(14)19-11/h4-7H,3H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).