3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

C10H17N3OS — CID 103357785

IUPAC3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCCCc1nsc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C10H17N3OS/c1-3-4-8-11-9(15-12-8)13-6-5-10(2,14)7-13/h14H,3-7H2,1-2H3
InChIKeyWNALWILRCDLWQF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds3

About 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 103357785) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
PubChem CID103357785
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCCCc1nsc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C10H17N3OS/c1-3-4-8-11-9(15-12-8)13-6-5-10(2,14)7-13/h14H,3-7H2,1-2H3
InChIKeyWNALWILRCDLWQF-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (CID 103357785) is 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is CCCc1nsc(N2CCC(C)(O)C2)n1.
What is the InChIKey of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is WNALWILRCDLWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-4-8-11-9(15-12-8)13-6-5-10(2,14)7-13/h14H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 227.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103357785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).