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

C9H16N4OS — CID 66280788

IUPAC3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C9H16N4OS/c10-8-11-9(15-12-8)13-5-1-3-7(13)4-2-6-14/h7,14H,1-6H2,(H2,10,12)
InChIKeySHXCZIXEPXJGEP-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.86
Rot. Bonds4

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

3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 66280788) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID66280788
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C9H16N4OS/c10-8-11-9(15-12-8)13-5-1-3-7(13)4-2-6-14/h7,14H,1-6H2,(H2,10,12)
InChIKeySHXCZIXEPXJGEP-UHFFFAOYSA-N
XLogP0.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (CID 66280788) is 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is Nc1nsc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is SHXCZIXEPXJGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c10-8-11-9(15-12-8)13-5-1-3-7(13)4-2-6-14/h7,14H,1-6H2,(H2,10,12).
What are the key properties of 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 228.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 66280788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).