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

C12H21N3OS — CID 65275057

IUPAC3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCCc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-11-13-12(17-14-11)15-8-3-6-10(15)7-4-9-16/h10,16H,2-9H2,1H3
InChIKeyGLWQUGPCZWBQNY-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.23
Rot. Bonds6

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

3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 65275057) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID65275057
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCCc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-11-13-12(17-14-11)15-8-3-6-10(15)7-4-9-16/h10,16H,2-9H2,1H3
InChIKeyGLWQUGPCZWBQNY-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 84595118
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
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
CID 65273153
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (CID 65275057) is 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is CCCc1nsc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is GLWQUGPCZWBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-5-11-13-12(17-14-11)15-8-3-6-10(15)7-4-9-16/h10,16H,2-9H2,1H3.
What are the key properties of 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 65275057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).