N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H20N4O2S2 — CID 16583077

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H20N4O2S2/c25-18(15-8-10-24(11-9-15)19(26)16-7-4-12-27-16)21-20-23-22-17(28-20)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,21,23,25)
InChIKeyKNUXIODIXQXRSA-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.68
Rot. Bonds5

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 16583077) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID16583077
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H20N4O2S2/c25-18(15-8-10-24(11-9-15)19(26)16-7-4-12-27-16)21-20-23-22-17(28-20)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,21,23,25)
InChIKeyKNUXIODIXQXRSA-UHFFFAOYSA-N
XLogP3.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 16583077) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is KNUXIODIXQXRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c25-18(15-8-10-24(11-9-15)19(26)16-7-4-12-27-16)21-20-23-22-17(28-20)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,21,23,25).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16583077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).