N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

C22H19F3N4O2S — CID 95070344

IUPACN-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3ccccc3C(F)(F)F)s2)cc1
InChIInChI=1S/C22H19F3N4O2S/c1-13-8-10-14(11-9-13)26-18(30)20-28-27-19(32-20)17-7-4-12-29(17)21(31)15-5-2-3-6-16(15)22(23,24)25/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyRUFZUVQHWLJWOJ-QGZVFWFLSA-N
MW460.48 g/mol
LogP5.09
Rot. Bonds4

About N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 95070344) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID95070344
Molecular FormulaC22H19F3N4O2S
Molecular Weight460.48 g/mol
Exact Mass460.12
IUPAC NameN-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3ccccc3C(F)(F)F)s2)cc1
InChIInChI=1S/C22H19F3N4O2S/c1-13-8-10-14(11-9-13)26-18(30)20-28-27-19(32-20)17-7-4-12-29(17)21(31)15-5-2-3-6-16(15)22(23,24)25/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyRUFZUVQHWLJWOJ-QGZVFWFLSA-N
XLogP5.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-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

5-[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070321
5-[(2S)-1-(2,6-difluorobenzoyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070315
5-[1-(2-bromobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072173
N-(4-chlorophenyl)-5-[1-(2-fluorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072169
5-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072237
methyl 2-[[(2S)-2-[5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carbonyl]amino]benzoate
CID 95070755
5-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072240
N-(4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072187
N-(4-methylphenyl)-5-[(2S)-1-[(3-methylphenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070791
5-[(2R)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070750
5-[(2S)-1-(2-ethylbutanoyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070304
N-(4-methylphenyl)-5-[(2S)-1-(2-phenoxyacetyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070335

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide (CID 95070344) is N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3ccccc3C(F)(F)F)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RUFZUVQHWLJWOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c1-13-8-10-14(11-9-13)26-18(30)20-28-27-19(32-20)17-7-4-12-29(17)21(31)15-5-2-3-6-16(15)22(23,24)25/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,26,30)/t17-/m1/s1.
What are the key properties of N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 95070344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).