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

C10H18N4OS — CID 65274762

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCCc1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C10H18N4OS/c1-2-9-11-10(16-12-9)14-5-3-13(4-6-14)7-8-15/h15H,2-8H2,1H3
InChIKeyOCAUNCUVPJILHA-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.21
Rot. Bonds4

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

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (PubChem CID 65274762) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
PubChem CID65274762
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCCc1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C10H18N4OS/c1-2-9-11-10(16-12-9)14-5-3-13(4-6-14)7-8-15/h15H,2-8H2,1H3
InChIKeyOCAUNCUVPJILHA-UHFFFAOYSA-N
XLogP0.21
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 71988591
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
CID 96566785
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
2-Hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 138027698
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
2-Methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 107305699
2-[2,2-Difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484110
2-[2,2-Difluoroethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484247
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484410

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (CID 65274762) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is CCc1nsc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The InChIKey is OCAUNCUVPJILHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-2-9-11-10(16-12-9)14-5-3-13(4-6-14)7-8-15/h15H,2-8H2,1H3.
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol has a molecular weight of 242.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 65274762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).