3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole

C10H17N3OS — CID 65274865

IUPAC3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OCC2CCCN2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)14-6-8-4-3-5-11-8/h7-8,11H,3-6H2,1-2H3
InChIKeyLHXCDIMHUQYKLD-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.79
Rot. Bonds4

About 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole

3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole (PubChem CID 65274865) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole
PubChem CID65274865
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OCC2CCCN2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)14-6-8-4-3-5-11-8/h7-8,11H,3-6H2,1-2H3
InChIKeyLHXCDIMHUQYKLD-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
N-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]ethanamine
CID 65274924
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954
2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole
CID 62333046
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
1-propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
CID 84699529
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541
2,4-dimethyl-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 62348060
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole (CID 65274865) is 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole is CC(C)c1nsc(OCC2CCCN2)n1.
What is the InChIKey of 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole?
The InChIKey is LHXCDIMHUQYKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)9-12-10(15-13-9)14-6-8-4-3-5-11-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole?
3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole has a molecular weight of 227.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(pyrrolidin-2-ylmethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 65274865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).