3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol

C12H21N3OS — CID 65275002

IUPAC3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)c1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-13-12(17-14-11)15-7-3-5-10(15)6-4-8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyBHSAJCIELZNBRC-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.40
Rot. Bonds5

About 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 65275002) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID65275002
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)c1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-13-12(17-14-11)15-7-3-5-10(15)6-4-8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyBHSAJCIELZNBRC-UHFFFAOYSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 126814625
(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 164639752
3-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol
CID 107305695
2-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65273211
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65273272
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 65273395
3-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65273453
8-(3-Methyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65273518
2-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274600
2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274601
2-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274602
8-[3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65274607

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (CID 65275002) is 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is CC(C)c1nsc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BHSAJCIELZNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)11-13-12(17-14-11)15-7-3-5-10(15)6-4-8-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 65275002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).