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

C17H22N4O2S — CID 46990783

IUPAC4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H22N4O2S/c1-17(2,23)13-8-10-21(11-9-13)16(22)19-15-18-14(20-24-15)12-6-4-3-5-7-12/h3-7,13,23H,8-11H2,1-2H3,(H,18,19,20,22)
InChIKeyPVNLSFKIPVILKE-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.22
Rot. Bonds3

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

4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46990783) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46990783
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C17H22N4O2S/c1-17(2,23)13-8-10-21(11-9-13)16(22)19-15-18-14(20-24-15)12-6-4-3-5-7-12/h3-7,13,23H,8-11H2,1-2H3,(H,18,19,20,22)
InChIKeyPVNLSFKIPVILKE-UHFFFAOYSA-N
XLogP3.22
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986858
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
4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 71867332
(3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 71878924

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46990783) is 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is CC(C)(O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PVNLSFKIPVILKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-17(2,23)13-8-10-21(11-9-13)16(22)19-15-18-14(20-24-15)12-6-4-3-5-7-12/h3-7,13,23H,8-11H2,1-2H3,(H,18,19,20,22).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46990783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).