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

C18H23N5O2S — CID 92879783

IUPACN-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1
InChIInChI=1S/C18H23N5O2S/c1-2-10-19-18(25)23-11-6-7-13(12-23)16-21-22-17(26-16)15(24)20-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,19,25)(H,20,24)/t13-/m0/s1
InChIKeyGEXUHBYBGUAJCM-ZDUSSCGKSA-N
MW373.48 g/mol
LogP3.09
Rot. Bonds5

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

N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92879783) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID92879783
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1
InChIInChI=1S/C18H23N5O2S/c1-2-10-19-18(25)23-11-6-7-13(12-23)16-21-22-17(26-16)15(24)20-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,19,25)(H,20,24)/t13-/m0/s1
InChIKeyGEXUHBYBGUAJCM-ZDUSSCGKSA-N
XLogP3.09
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-1-(2-methoxyethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879803
N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376028
5-[(3R)-1-[(4-methylphenyl)methylcarbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879774
5-[(3R)-1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879750
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879518
N-(4-fluorophenyl)-5-[(3R)-1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879290
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722
5-(1-ethylsulfonylpiperidin-3-yl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816671
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46375863
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
5-[(3S)-1-[(2-bromophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879743

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 92879783) is N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is CCCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1.
What is the InChIKey of N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GEXUHBYBGUAJCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-2-10-19-18(25)23-11-6-7-13(12-23)16-21-22-17(26-16)15(24)20-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,19,25)(H,20,24)/t13-/m0/s1.
What are the key properties of N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92879783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).