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

C12H13F2N3O2S2 — CID 63944835

IUPAC2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3O2S2/c1-7-11(20-12(15)17-7)21(18,19)16-3-2-8-4-9(13)6-10(14)5-8/h4-6,16H,2-3H2,1H3,(H2,15,17)
InChIKeySLBQQEDQOWMVNT-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.83
Rot. Bonds5

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

2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63944835) has the molecular formula C12H13F2N3O2S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63944835
Molecular FormulaC12H13F2N3O2S2
Molecular Weight333.39 g/mol
Exact Mass333.04
IUPAC Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3O2S2/c1-7-11(20-12(15)17-7)21(18,19)16-3-2-8-4-9(13)6-10(14)5-8/h4-6,16H,2-3H2,1H3,(H2,15,17)
InChIKeySLBQQEDQOWMVNT-UHFFFAOYSA-N
XLogP1.83
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 63944835) is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is SLBQQEDQOWMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S2/c1-7-11(20-12(15)17-7)21(18,19)16-3-2-8-4-9(13)6-10(14)5-8/h4-6,16H,2-3H2,1H3,(H2,15,17).
What are the key properties of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 333.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).