2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

C13H22N4O2S2 — CID 62021174

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CCCCC2CO)n1
InChIInChI=1S/C13H22N4O2S2/c1-2-7-20-13-15-12(21-16-13)14-11(19)8-17-6-4-3-5-10(17)9-18/h10,18H,2-9H2,1H3,(H,14,15,16,19)
InChIKeyPBTUGGJAYRIYLG-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.83
Rot. Bonds7

About 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 62021174) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID62021174
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CCCCC2CO)n1
InChIInChI=1S/C13H22N4O2S2/c1-2-7-20-13-15-12(21-16-13)14-11(19)8-17-6-4-3-5-10(17)9-18/h10,18H,2-9H2,1H3,(H,14,15,16,19)
InChIKeyPBTUGGJAYRIYLG-UHFFFAOYSA-N
XLogP1.83
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62672812
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 65463198
N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684627
2-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 81227681
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 66214373
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60690531
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917
N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684776
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 62021174) is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CCCSc1nsc(NC(=O)CN2CCCCC2CO)n1.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is PBTUGGJAYRIYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-2-7-20-13-15-12(21-16-13)14-11(19)8-17-6-4-3-5-10(17)9-18/h10,18H,2-9H2,1H3,(H,14,15,16,19).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 62021174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).