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

C23H25N5O2S — CID 46376028

IUPACN-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C2CCCN(C(=O)NCCc3ccccc3)C2)s1
InChIInChI=1S/C23H25N5O2S/c29-20(25-19-11-5-2-6-12-19)22-27-26-21(31-22)18-10-7-15-28(16-18)23(30)24-14-13-17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,24,30)(H,25,29)
InChIKeyYABBZPOQWOURSL-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.92
Rot. Bonds6

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

N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46376028) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46376028
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C2CCCN(C(=O)NCCc3ccccc3)C2)s1
InChIInChI=1S/C23H25N5O2S/c29-20(25-19-11-5-2-6-12-19)22-27-26-21(31-22)18-10-7-15-28(16-18)23(30)24-14-13-17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,24,30)(H,25,29)
InChIKeyYABBZPOQWOURSL-UHFFFAOYSA-N
XLogP3.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-[(3R)-1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879290
N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879783
5-[(3S)-1-(2-methoxyethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879803
5-[(3R)-1-[(4-methylphenyl)methylcarbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879774
5-[1-(oxolan-2-ylmethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376033
5-[(3S)-1-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879761
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879518
5-[(3S)-1-[(2-bromophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879743
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722
5-[(3R)-1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879750
N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879752
5-[1-[(2,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46375998

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 46376028) is N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(C2CCCN(C(=O)NCCc3ccccc3)C2)s1.
What is the InChIKey of N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YABBZPOQWOURSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c29-20(25-19-11-5-2-6-12-19)22-27-26-21(31-22)18-10-7-15-28(16-18)23(30)24-14-13-17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,24,30)(H,25,29).
What are the key properties of N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46376028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).