N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

C16H18F2N4O3S2 — CID 95071556

IUPACN-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N4O3S2/c1-2-8-27(24,25)22-7-3-4-13(22)15-20-21-16(26-15)14(23)19-12-6-5-10(17)9-11(12)18/h5-6,9,13H,2-4,7-8H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyXUPBNGCXEGSVNG-ZDUSSCGKSA-N
MW416.48 g/mol
LogP2.95
Rot. Bonds6

About N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 95071556) has the molecular formula C16H18F2N4O3S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID95071556
Molecular FormulaC16H18F2N4O3S2
Molecular Weight416.48 g/mol
Exact Mass416.08
IUPAC NameN-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N4O3S2/c1-2-8-27(24,25)22-7-3-4-13(22)15-20-21-16(26-15)14(23)19-12-6-5-10(17)9-11(12)18/h5-6,9,13H,2-4,7-8H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyXUPBNGCXEGSVNG-ZDUSSCGKSA-N
XLogP2.95
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide 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-(2,4-difluorophenyl)-5-[(2S)-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071621
N-(2,4-difluorophenyl)-5-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072865
N-(2,4-difluorophenyl)-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072841
N-(2,4-difluorophenyl)-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071609
5-[(2S)-1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95071709
5-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072729
5-[(2S)-1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95071335
5-[1-(3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072918
5-[(2R)-1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95071156
5-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072669
N-(2-fluorophenyl)-5-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072908
5-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072350

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide (CID 95071556) is N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide is CCCS(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2F)s1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XUPBNGCXEGSVNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18F2N4O3S2/c1-2-8-27(24,25)22-7-3-4-13(22)15-20-21-16(26-15)14(23)19-12-6-5-10(17)9-11(12)18/h5-6,9,13H,2-4,7-8H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 95071556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).