1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol

C12H22N4O2S — CID 71988591

IUPAC1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
SMILESCCc1nsc(N2CCN(CC(O)COC)CC2)n1
InChIInChI=1S/C12H22N4O2S/c1-3-11-13-12(19-14-11)16-6-4-15(5-7-16)8-10(17)9-18-2/h10,17H,3-9H2,1-2H3
InChIKeyFZKSPUDSJCDUFJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.23
Rot. Bonds6

About 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol

1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol (PubChem CID 71988591) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
PubChem CID71988591
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
SMILESCCc1nsc(N2CCN(CC(O)COC)CC2)n1
InChIInChI=1S/C12H22N4O2S/c1-3-11-13-12(19-14-11)16-6-4-15(5-7-16)8-10(17)9-18-2/h10,17H,3-9H2,1-2H3
InChIKeyFZKSPUDSJCDUFJ-UHFFFAOYSA-N
XLogP0.23
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol (CID 71988591) is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol is CCc1nsc(N2CCN(CC(O)COC)CC2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is FZKSPUDSJCDUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-11-13-12(19-14-11)16-6-4-15(5-7-16)8-10(17)9-18-2/h10,17H,3-9H2,1-2H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol?
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 71988591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).