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

C10H16N4O2S — CID 133392936

IUPAC2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCc1nsc(N2CCN(C(=O)C(C)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-7(15)9(16)13-3-5-14(6-4-13)10-11-8(2)12-17-10/h7,15H,3-6H2,1-2H3
InChIKeyOTYQLLOXBCJMHK-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.12
Rot. Bonds2

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

2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one (PubChem CID 133392936) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
PubChem CID133392936
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
SMILESCc1nsc(N2CCN(C(=O)C(C)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-7(15)9(16)13-3-5-14(6-4-13)10-11-8(2)12-17-10/h7,15H,3-6H2,1-2H3
InChIKeyOTYQLLOXBCJMHK-UHFFFAOYSA-N
XLogP-0.12
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.12
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]propan-1-one?
The IUPAC name of 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one (CID 133392936) is 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one is Cc1nsc(N2CCN(C(=O)C(C)O)CC2)n1.
What is the InChIKey of 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one?
The InChIKey is OTYQLLOXBCJMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7(15)9(16)13-3-5-14(6-4-13)10-11-8(2)12-17-10/h7,15H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one?
2-hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one has a molecular weight of 256.33 g/mol, XLogP of -0.12, 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]propan-1-one is sourced from PubChem (CID 133392936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).