[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone

C11H18N4O2S — CID 63657795

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(2,17)8-14-3-5-15(6-4-14)10(16)9-7-12-13-18-9/h7,17H,3-6,8H2,1-2H3
InChIKeyNAFOYWSHJJUHAU-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.07
Rot. Bonds3

About [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 63657795) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID63657795
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(2,17)8-14-3-5-15(6-4-14)10(16)9-7-12-13-18-9/h7,17H,3-6,8H2,1-2H3
InChIKeyNAFOYWSHJJUHAU-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone (CID 63657795) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone is CC(C)(O)CN1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is NAFOYWSHJJUHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,17)8-14-3-5-15(6-4-14)10(16)9-7-12-13-18-9/h7,17H,3-6,8H2,1-2H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 63657795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).