N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide

C15H19FN2O2S2 — CID 7503071

IUPACN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C15H19FN2O2S2/c1-3-10-22(19,20)17-9-8-14-11(2)18-15(21-14)12-4-6-13(16)7-5-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyOZNHYUIEAKFBOF-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide (PubChem CID 7503071) has the molecular formula C15H19FN2O2S2 and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
PubChem CID7503071
Molecular FormulaC15H19FN2O2S2
Molecular Weight342.46 g/mol
Exact Mass342.09
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C15H19FN2O2S2/c1-3-10-22(19,20)17-9-8-14-11(2)18-15(21-14)12-4-6-13(16)7-5-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyOZNHYUIEAKFBOF-UHFFFAOYSA-N
XLogP3.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
5-ethylsulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 8034886
4-(2-Methyl-4-phenyl-thiazol-5-yl)-benzenesulfonamide
CID 10019555
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-2-methyl-thiazole
CID 10154719
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-methylthiazole
CID 10172237
4-(2-Methyl-5-phenyl-thiazol-4-yl)-benzenesulfonamide
CID 17816357
2-tert-Butyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22911749
[4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazol-2-yl]-acetonitrile
CID 22911767
2-Ethyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22911810
2-Benzyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22912028

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide (CID 7503071) is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide?
The InChIKey is OZNHYUIEAKFBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S2/c1-3-10-22(19,20)17-9-8-14-11(2)18-15(21-14)12-4-6-13(16)7-5-12/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide?
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 7503071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).