N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

C13H14FN3O3S2 — CID 17013356

IUPACN-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1
InChIInChI=1S/C13H14FN3O3S2/c1-8(2)11(18)15-12-16-17-13(21-12)22(19,20)7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,16,18)
InChIKeyJGPYXIMTGMRINA-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.25
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 17013356) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID17013356
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC NameN-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1
InChIInChI=1S/C13H14FN3O3S2/c1-8(2)11(18)15-12-16-17-13(21-12)22(19,20)7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,16,18)
InChIKeyJGPYXIMTGMRINA-UHFFFAOYSA-N
XLogP2.25
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide 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

N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 17013347
4-fluoro-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17012985
N-[5-[(2-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100673658
2-methyl-N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133178605
(2S)-2-(4-fluorophenoxy)-N-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 27505737
(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119319928
3-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 120500550
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 133199425
N-[5-[(2,6-difluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100558951
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100771093
2-methyl-N-[5-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100749760

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 17013356) is N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is JGPYXIMTGMRINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c1-8(2)11(18)15-12-16-17-13(21-12)22(19,20)7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,16,18).
What are the key properties of N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 343.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 17013356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).