2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol

C11H20N4OS — CID 65274710

IUPAC2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCC(C)c1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H20N4OS/c1-9(2)10-12-11(17-13-10)15-5-3-14(4-6-15)7-8-16/h9,16H,3-8H2,1-2H3
InChIKeyUEPPLLPGQWFEEK-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.78
Rot. Bonds4

About 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol

2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (PubChem CID 65274710) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
PubChem CID65274710
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCC(C)c1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H20N4OS/c1-9(2)10-12-11(17-13-10)15-5-3-14(4-6-15)7-8-16/h9,16H,3-8H2,1-2H3
InChIKeyUEPPLLPGQWFEEK-UHFFFAOYSA-N
XLogP0.78
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (CID 65274710) is 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is CC(C)c1nsc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The InChIKey is UEPPLLPGQWFEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9(2)10-12-11(17-13-10)15-5-3-14(4-6-15)7-8-16/h9,16H,3-8H2,1-2H3.
What are the key properties of 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol has a molecular weight of 256.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 65274710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).