N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

C22H20F3N5O2S — CID 92879752

IUPACN-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C22H20F3N5O2S/c23-22(24,25)16-10-4-5-11-17(16)27-21(32)30-12-6-7-14(13-30)19-28-29-20(33-19)18(31)26-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,26,31)(H,27,32)/t14-/m1/s1
InChIKeyGYDBIZHXLBUBCL-CQSZACIVSA-N
MW475.50 g/mol
LogP5.22
Rot. Bonds4

About N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92879752) has the molecular formula C22H20F3N5O2S and a molecular weight of 475.50 g/mol. Its IUPAC name is N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID92879752
Molecular FormulaC22H20F3N5O2S
Molecular Weight475.50 g/mol
Exact Mass475.13
IUPAC NameN-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C22H20F3N5O2S/c23-22(24,25)16-10-4-5-11-17(16)27-21(32)30-12-6-7-14(13-30)19-28-29-20(33-19)18(31)26-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,26,31)(H,27,32)/t14-/m1/s1
InChIKeyGYDBIZHXLBUBCL-CQSZACIVSA-N
XLogP5.22
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-1-[(2-bromophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879743
5-[(3R)-1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879750
5-[(3S)-1-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879761
N-(2-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879452
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879518
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375778
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722
5-[1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46375998
5-[(3R)-1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879754
N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879783
5-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376000
N-(4-fluorophenyl)-5-[(3R)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879214

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 92879752) is N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)s1.
What is the InChIKey of N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GYDBIZHXLBUBCL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20F3N5O2S/c23-22(24,25)16-10-4-5-11-17(16)27-21(32)30-12-6-7-14(13-30)19-28-29-20(33-19)18(31)26-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,26,31)(H,27,32)/t14-/m1/s1.
What are the key properties of N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92879752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).