N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide

C16H18N4O2S2 — CID 42041834

IUPACN-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CSc2nncs2)CC1
InChIInChI=1S/C16H18N4O2S2/c21-14(10-23-16-19-17-11-24-16)20-8-6-12(7-9-20)15(22)18-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,18,22)
InChIKeyCVARFDICCCDHFC-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.51
Rot. Bonds5

About N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide

N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide (PubChem CID 42041834) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
PubChem CID42041834
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CSc2nncs2)CC1
InChIInChI=1S/C16H18N4O2S2/c21-14(10-23-16-19-17-11-24-16)20-8-6-12(7-9-20)15(22)18-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,18,22)
InChIKeyCVARFDICCCDHFC-UHFFFAOYSA-N
XLogP2.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-anilinopiperidin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 97082734
N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 24572513
1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24569710
1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523272
1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 42053906
N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 47015830
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
CID 36636052
1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
CID 24571532
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide (CID 42041834) is N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nncs2)CC1.
What is the InChIKey of N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide?
The InChIKey is CVARFDICCCDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c21-14(10-23-16-19-17-11-24-16)20-8-6-12(7-9-20)15(22)18-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,18,22).
What are the key properties of N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide?
N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 42041834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).