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

C17H22N4O2S — CID 46991604

IUPAC3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(O)C1CCCN(C(=O)Nc2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C17H22N4O2S/c1-17(2,23)13-9-6-10-21(11-13)16(22)19-15-18-14(20-24-15)12-7-4-3-5-8-12/h3-5,7-8,13,23H,6,9-11H2,1-2H3,(H,18,19,20,22)
InChIKeySLWNADGXXPWCPC-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.22
Rot. Bonds3

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

3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46991604) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46991604
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(O)C1CCCN(C(=O)Nc2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C17H22N4O2S/c1-17(2,23)13-9-6-10-21(11-13)16(22)19-15-18-14(20-24-15)12-7-4-3-5-8-12/h3-5,7-8,13,23H,6,9-11H2,1-2H3,(H,18,19,20,22)
InChIKeySLWNADGXXPWCPC-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

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Related Compounds

1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-piperidinecarboxamide
CID 2960085
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
4-(1-hydroxy-1-methylethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990783
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
3,3-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992414
4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46999948

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46991604) is 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is CC(C)(O)C1CCCN(C(=O)Nc2nc(-c3ccccc3)ns2)C1.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is SLWNADGXXPWCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-17(2,23)13-9-6-10-21(11-13)16(22)19-15-18-14(20-24-15)12-7-4-3-5-8-12/h3-5,7-8,13,23H,6,9-11H2,1-2H3,(H,18,19,20,22).
What are the key properties of 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
3-(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 3-(2-hydroxypropan-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46991604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).