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

C11H11F2N3O2S2 — CID 63945429

IUPAC2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O2S2/c1-6-10(19-11(14)16-6)20(17,18)15-5-7-4-8(12)2-3-9(7)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyIIPRHYNGMHWFLN-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.79
Rot. Bonds4

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

2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63945429) has the molecular formula C11H11F2N3O2S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63945429
Molecular FormulaC11H11F2N3O2S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC Name2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O2S2/c1-6-10(19-11(14)16-6)20(17,18)15-5-7-4-8(12)2-3-9(7)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyIIPRHYNGMHWFLN-UHFFFAOYSA-N
XLogP1.79
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 63945429) is 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IIPRHYNGMHWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S2/c1-6-10(19-11(14)16-6)20(17,18)15-5-7-4-8(12)2-3-9(7)13/h2-4,15H,5H2,1H3,(H2,14,16).
What are the key properties of 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 319.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).