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

C19H22FN5OS — CID 46979051

IUPACN-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCc1cc(C)n(CCc2nnc(NC(=O)C(C)(C)c3ccc(F)cc3)s2)n1
InChIInChI=1S/C19H22FN5OS/c1-12-11-13(2)25(24-12)10-9-16-22-23-18(27-16)21-17(26)19(3,4)14-5-7-15(20)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,21,23,26)
InChIKeyXMBGKMURBQDOLI-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.65
Rot. Bonds6

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

N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 46979051) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide
PubChem CID46979051
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC NameN-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCc1cc(C)n(CCc2nnc(NC(=O)C(C)(C)c3ccc(F)cc3)s2)n1
InChIInChI=1S/C19H22FN5OS/c1-12-11-13(2)25(24-12)10-9-16-22-23-18(27-16)21-17(26)19(3,4)14-5-7-15(20)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,21,23,26)
InChIKeyXMBGKMURBQDOLI-UHFFFAOYSA-N
XLogP3.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-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-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-2-carboxamide
CID 16673121
2-(3,5-dimethylpyrazol-1-yl)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 110244385
5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 156584427
(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51498804
2-methyl-N-[5-[4-[5-[(2-methyl-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylpropanamide
CID 90165486
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-pyrrolidin-1-ylbenzamide
CID 46979667
(3R)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92612407
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46979764
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 82546736
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 124846533
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
N-(4-acetamidophenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197459

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide (CID 46979051) is N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide is Cc1cc(C)n(CCc2nnc(NC(=O)C(C)(C)c3ccc(F)cc3)s2)n1.
What is the InChIKey of N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is XMBGKMURBQDOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-12-11-13(2)25(24-12)10-9-16-22-23-18(27-16)21-17(26)19(3,4)14-5-7-15(20)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,21,23,26).
What are the key properties of N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide?
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 387.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 46979051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).