4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C16H20N4O2S — CID 46986858

IUPAC4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H20N4O2S/c1-11(21)12-7-9-20(10-8-12)16(22)18-15-17-14(19-23-15)13-5-3-2-4-6-13/h2-6,11-12,21H,7-10H2,1H3,(H,17,18,19,22)
InChIKeyJUBKLLVBYOLAPT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.83
Rot. Bonds3

About 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46986858) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46986858
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H20N4O2S/c1-11(21)12-7-9-20(10-8-12)16(22)18-15-17-14(19-23-15)13-5-3-2-4-6-13/h2-6,11-12,21H,7-10H2,1H3,(H,17,18,19,22)
InChIKeyJUBKLLVBYOLAPT-UHFFFAOYSA-N
XLogP2.83
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-piperidinecarboxamide
CID 2960085
N1-(tert-butyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 2809272
1-(1-Methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 48749990
4-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46982806
4-(cyclopropylcarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 46983544
4-(1-hydroxypropyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984473
N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
CID 46984995
4-(1-hydroxy-1-methylethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990783
3-(1-hydroxy-1-methylethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991604
4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 48777799
(3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 71878924
1-(1-Hydroxypropan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 47434217

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46986858) is 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is JUBKLLVBYOLAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(21)12-7-9-20(10-8-12)16(22)18-15-17-14(19-23-15)13-5-3-2-4-6-13/h2-6,11-12,21H,7-10H2,1H3,(H,17,18,19,22).
What are the key properties of 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46986858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).