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

C9H16N4OS — CID 65273093

IUPAC2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCc1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C9H16N4OS/c1-8-10-9(15-11-8)13-4-2-12(3-5-13)6-7-14/h14H,2-7H2,1H3
InChIKeyFEPLTDCZZWYYGI-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.04
Rot. Bonds3

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

2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (PubChem CID 65273093) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
PubChem CID65273093
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCc1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C9H16N4OS/c1-8-10-9(15-11-8)13-4-2-12(3-5-13)6-7-14/h14H,2-7H2,1H3
InChIKeyFEPLTDCZZWYYGI-UHFFFAOYSA-N
XLogP-0.04
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (CID 65273093) is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is Cc1nsc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The InChIKey is FEPLTDCZZWYYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-8-10-9(15-11-8)13-4-2-12(3-5-13)6-7-14/h14H,2-7H2,1H3.
What are the key properties of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol has a molecular weight of 228.32 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 65273093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).