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

C9H14N4O2S — CID 133392929

IUPAC2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1nsc(N2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-10-9(16-11-7)13-4-2-12(3-5-13)8(15)6-14/h14H,2-6H2,1H3
InChIKeyCBYPPYWMWVSTKM-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.51
Rot. Bonds2

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

2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 133392929) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID133392929
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1nsc(N2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-10-9(16-11-7)13-4-2-12(3-5-13)8(15)6-14/h14H,2-6H2,1H3
InChIKeyCBYPPYWMWVSTKM-UHFFFAOYSA-N
XLogP-0.51
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (CID 133392929) is 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is Cc1nsc(N2CCN(C(=O)CO)CC2)n1.
What is the InChIKey of 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is CBYPPYWMWVSTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7-10-9(16-11-7)13-4-2-12(3-5-13)8(15)6-14/h14H,2-6H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 242.30 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 133392929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).