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

C10H17N3OS — CID 65273453

IUPAC3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C10H17N3OS/c1-8-11-10(15-12-8)13-6-2-4-9(13)5-3-7-14/h9,14H,2-7H2,1H3
InChIKeyXYRAEULIGRHABK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.59
Rot. Bonds4

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

3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 65273453) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID65273453
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C10H17N3OS/c1-8-11-10(15-12-8)13-6-2-4-9(13)5-3-7-14/h9,14H,2-7H2,1H3
InChIKeyXYRAEULIGRHABK-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (CID 65273453) is 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is Cc1nsc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is XYRAEULIGRHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-11-10(15-12-8)13-6-2-4-9(13)5-3-7-14/h9,14H,2-7H2,1H3.
What are the key properties of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 65273453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).