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

C17H20N4O3S — CID 50816338

IUPAC5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1
InChIInChI=1S/C17H20N4O3S/c1-24-11-14(22)21-9-7-12(8-10-21)16-19-20-17(25-16)15(23)18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,18,23)
InChIKeyTVDLPANMTSKZBD-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.14
Rot. Bonds5

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

5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50816338) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID50816338
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1
InChIInChI=1S/C17H20N4O3S/c1-24-11-14(22)21-9-7-12(8-10-21)16-19-20-17(25-16)15(23)18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,18,23)
InChIKeyTVDLPANMTSKZBD-UHFFFAOYSA-N
XLogP2.14
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816367
5-[(3S)-1-(2-methoxyethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879803
5-[1-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816534
5-[1-(furan-2-carbonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376420
5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376537
5-[1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816533
5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376550
5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816406
5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376549
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816471
5-(1-ethylsulfonylpiperidin-3-yl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816671
N-phenyl-5-[(3S)-1-(propylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879783

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 50816338) is 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is COCC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1.
What is the InChIKey of 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is TVDLPANMTSKZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-24-11-14(22)21-9-7-12(8-10-21)16-19-20-17(25-16)15(23)18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,18,23).
What are the key properties of 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50816338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).