[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol

C10H17N3OS — CID 65274828

IUPAC[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESCCCc1nsc(N2CCC(CO)C2)n1
InChIInChI=1S/C10H17N3OS/c1-2-3-9-11-10(15-12-9)13-5-4-8(6-13)7-14/h8,14H,2-7H2,1H3
InChIKeyWSYFOFXRZQYBJO-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.31
Rot. Bonds4

About [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol

[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol (PubChem CID 65274828) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
PubChem CID65274828
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESCCCc1nsc(N2CCC(CO)C2)n1
InChIInChI=1S/C10H17N3OS/c1-2-3-9-11-10(15-12-9)13-5-4-8(6-13)7-14/h8,14H,2-7H2,1H3
InChIKeyWSYFOFXRZQYBJO-UHFFFAOYSA-N
XLogP1.31
TPSA49.25 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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol (CID 65274828) is [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol is CCCc1nsc(N2CCC(CO)C2)n1.
What is the InChIKey of [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The InChIKey is WSYFOFXRZQYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-3-9-11-10(15-12-9)13-5-4-8(6-13)7-14/h8,14H,2-7H2,1H3.
What are the key properties of [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 65274828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).