N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide

C21H28N4OS — CID 46952064

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H28N4OS/c26-19(22-21-24-23-20(27-21)17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)25-14-8-3-9-15-25/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H,22,24,26)
InChIKeyUNLCEMSVVSBTAS-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.75
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide (PubChem CID 46952064) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
PubChem CID46952064
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H28N4OS/c26-19(22-21-24-23-20(27-21)17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)25-14-8-3-9-15-25/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H,22,24,26)
InChIKeyUNLCEMSVVSBTAS-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 46952070
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22198267
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71871802
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152774
(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 90186082
2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 123387917
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 46951664
(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 124582402
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 27297044
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135603

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide (CID 46952064) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide is O=C(Nc1nnc(C2CCCCC2)s1)C(c1ccccc1)N1CCCCC1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide?
The InChIKey is UNLCEMSVVSBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c26-19(22-21-24-23-20(27-21)17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)25-14-8-3-9-15-25/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H,22,24,26).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide has a molecular weight of 384.55 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 46952064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).