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

C15H18N4O2S — CID 48777799

IUPAC4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCC(CO)CC1
InChIInChI=1S/C15H18N4O2S/c20-10-11-6-8-19(9-7-11)15(21)17-14-16-13(18-22-14)12-4-2-1-3-5-12/h1-5,11,20H,6-10H2,(H,16,17,18,21)
InChIKeyNKWRLDBDLDLXEB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.44
Rot. Bonds3

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

4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 48777799) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID48777799
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCC(CO)CC1
InChIInChI=1S/C15H18N4O2S/c20-10-11-6-8-19(9-7-11)15(21)17-14-16-13(18-22-14)12-4-2-1-3-5-12/h1-5,11,20H,6-10H2,(H,16,17,18,21)
InChIKeyNKWRLDBDLDLXEB-UHFFFAOYSA-N
XLogP2.44
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.44
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
4-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
CID 78225484
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
3-(1-hydroxy-1-methylethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991604
(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-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 48777799) is 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is NKWRLDBDLDLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-10-11-6-8-19(9-7-11)15(21)17-14-16-13(18-22-14)12-4-2-1-3-5-12/h1-5,11,20H,6-10H2,(H,16,17,18,21).
What are the key properties of 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 48777799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).