2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol

C12H19N3OS — CID 65274602

IUPAC2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c16-8-6-10-3-1-2-7-15(10)12-13-11(14-17-12)9-4-5-9/h9-10,16H,1-8H2
InChIKeyUPGKYBZVNNVPHO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds4

About 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol

2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (PubChem CID 65274602) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
PubChem CID65274602
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C12H19N3OS/c16-8-6-10-3-1-2-7-15(10)12-13-11(14-17-12)9-4-5-9/h9-10,16H,1-8H2
InChIKeyUPGKYBZVNNVPHO-UHFFFAOYSA-N
XLogP2.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol (CID 65274602) is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
The InChIKey is UPGKYBZVNNVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-8-6-10-3-1-2-7-15(10)12-13-11(14-17-12)9-4-5-9/h9-10,16H,1-8H2.
What are the key properties of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol?
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol has a molecular weight of 253.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 65274602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).