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

C12H20N4O2S — CID 138027698

IUPAC2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1nsc(CN2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C12H20N4O2S/c1-9(2)12-13-10(19-14-12)7-15-3-5-16(6-4-15)11(18)8-17/h9,17H,3-8H2,1-2H3
InChIKeyNYLPBNGGDJTUOK-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.30
Rot. Bonds4

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

2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 138027698) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
PubChem CID138027698
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1nsc(CN2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C12H20N4O2S/c1-9(2)12-13-10(19-14-12)7-15-3-5-16(6-4-15)11(18)8-17/h9,17H,3-8H2,1-2H3
InChIKeyNYLPBNGGDJTUOK-UHFFFAOYSA-N
XLogP0.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 70509626
2-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274710
2-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274762
(4-(2-Hydroxyethyl)piperazin-1-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807120
2-Methoxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328042
1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methoxyethanone
CID 133333023
2-Hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133392929
2-Hydroxy-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 133392936
2-[Methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
CID 133425211
(2R)-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133486138
1-{4-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl}ethan-1-one
CID 163345921

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 138027698) is 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone is CC(C)c1nsc(CN2CCN(C(=O)CO)CC2)n1.
What is the InChIKey of 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is NYLPBNGGDJTUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9(2)12-13-10(19-14-12)7-15-3-5-16(6-4-15)11(18)8-17/h9,17H,3-8H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone?
2-hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 284.38 g/mol, XLogP of 0.30, 4 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-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 138027698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).