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

C20H21N5O3S — CID 46376549

IUPAC5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)NCc3ccco3)CC2)s1
InChIInChI=1S/C20H21N5O3S/c26-17(22-15-5-2-1-3-6-15)19-24-23-18(29-19)14-8-10-25(11-9-14)20(27)21-13-16-7-4-12-28-16/h1-7,12,14H,8-11,13H2,(H,21,27)(H,22,26)
InChIKeyMAJHNWCXFZHIHG-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.47
Rot. Bonds5

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

5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46376549) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46376549
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)NCc3ccco3)CC2)s1
InChIInChI=1S/C20H21N5O3S/c26-17(22-15-5-2-1-3-6-15)19-24-23-18(29-19)14-8-10-25(11-9-14)20(27)21-13-16-7-4-12-28-16/h1-7,12,14H,8-11,13H2,(H,21,27)(H,22,26)
InChIKeyMAJHNWCXFZHIHG-UHFFFAOYSA-N
XLogP3.47
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(furan-2-carbonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376420
5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816367
5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816338
5-[1-(oxolan-2-ylmethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376033
5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46327945
5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376537
5-[(3R)-1-[(4-methylphenyl)methylcarbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879774
5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376550
N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879783
N-phenyl-5-[1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376028
N-(4-fluorophenyl)-5-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330783
N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46376549) is 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)NCc3ccco3)CC2)s1.
What is the InChIKey of 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MAJHNWCXFZHIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-17(22-15-5-2-1-3-6-15)19-24-23-18(29-19)14-8-10-25(11-9-14)20(27)21-13-16-7-4-12-28-16/h1-7,12,14H,8-11,13H2,(H,21,27)(H,22,26).
What are the key properties of 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46376549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).