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

C11H20N4OS — CID 65274711

IUPAC2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCCCc1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H20N4OS/c1-2-3-10-12-11(17-13-10)15-6-4-14(5-7-15)8-9-16/h16H,2-9H2,1H3
InChIKeyICBGPNDZIXMBBJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.60
Rot. Bonds5

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

2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (PubChem CID 65274711) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
PubChem CID65274711
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCCCc1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H20N4OS/c1-2-3-10-12-11(17-13-10)15-6-4-14(5-7-15)8-9-16/h16H,2-9H2,1H3
InChIKeyICBGPNDZIXMBBJ-UHFFFAOYSA-N
XLogP0.60
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (CID 65274711) is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is CCCc1nsc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The InChIKey is ICBGPNDZIXMBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-2-3-10-12-11(17-13-10)15-6-4-14(5-7-15)8-9-16/h16H,2-9H2,1H3.
What are the key properties of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol has a molecular weight of 256.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 65274711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).