2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C12H20N4O2S — CID 46998706

IUPAC2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCCC2CCCO)n1
InChIInChI=1S/C12H20N4O2S/c1-9-13-11(19-15-9)14-12(18)16-7-3-2-5-10(16)6-4-8-17/h10,17H,2-8H2,1H3,(H,13,14,15,18)
InChIKeyWAKODLRFPQIRSD-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46998706) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46998706
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCCC2CCCO)n1
InChIInChI=1S/C12H20N4O2S/c1-9-13-11(19-15-9)14-12(18)16-7-3-2-5-10(16)6-4-8-17/h10,17H,2-8H2,1H3,(H,13,14,15,18)
InChIKeyWAKODLRFPQIRSD-UHFFFAOYSA-N
XLogP2.01
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992394
4-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46988283
4-(1-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50949738
(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 164639752
4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46999278
2-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 141752043
3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46987971
4-(1-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990672
4-(1-hydroxy-2-methylpropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46994845
3-(hydroxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-propylpiperidine-1-carboxamide
CID 46998068
4-[(1R)-1-hydroxyethyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52377681
4-[(1S)-1-hydroxyethyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52377682

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46998706) is 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCCCC2CCCO)n1.
What is the InChIKey of 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is WAKODLRFPQIRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-13-11(19-15-9)14-12(18)16-7-3-2-5-10(16)6-4-8-17/h10,17H,2-8H2,1H3,(H,13,14,15,18).
What are the key properties of 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46998706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).