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

C8H13N3OS — CID 65273395

IUPAC[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESCc1nsc(N2CCC(CO)C2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11-3-2-7(4-11)5-12/h7,12H,2-5H2,1H3
InChIKeyNTIJPCLWUMITQW-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.67
Rot. Bonds2

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

[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol (PubChem CID 65273395) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
PubChem CID65273395
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESCc1nsc(N2CCC(CO)C2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11-3-2-7(4-11)5-12/h7,12H,2-5H2,1H3
InChIKeyNTIJPCLWUMITQW-UHFFFAOYSA-N
XLogP0.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-methyl-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-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol (CID 65273395) is [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol is Cc1nsc(N2CCC(CO)C2)n1.
What is the InChIKey of [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The InChIKey is NTIJPCLWUMITQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11-3-2-7(4-11)5-12/h7,12H,2-5H2,1H3.
What are the key properties of [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol has a molecular weight of 199.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 65273395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).