4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one

C10H16N4O2S — CID 75377879

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
SMILESCCc1nsc(N2CCN(CCO)C(=O)C2)n1
InChIInChI=1S/C10H16N4O2S/c1-2-8-11-10(17-12-8)14-4-3-13(5-6-15)9(16)7-14/h15H,2-7H2,1H3
InChIKeyFZSUUUPRVJMKKS-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.26
Rot. Bonds4

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one (PubChem CID 75377879) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
PubChem CID75377879
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
SMILESCCc1nsc(N2CCN(CCO)C(=O)C2)n1
InChIInChI=1S/C10H16N4O2S/c1-2-8-11-10(17-12-8)14-4-3-13(5-6-15)9(16)7-14/h15H,2-7H2,1H3
InChIKeyFZSUUUPRVJMKKS-UHFFFAOYSA-N
XLogP-0.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-(2-hydroxyethyl)-N-isopropyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807126
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
CID 86801612
[4-(2,2-Difluoro-3-hydroxypropyl)piperazin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 138021038
2-Hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 138027698
2-[4-(3-Propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
CID 65272945
2-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
CID 65273002
2-[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
CID 65273003
2-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
CID 65273004
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65273093
2-[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274709
2-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274710

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one (CID 75377879) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one is CCc1nsc(N2CCN(CCO)C(=O)C2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one?
The InChIKey is FZSUUUPRVJMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-8-11-10(17-12-8)14-4-3-13(5-6-15)9(16)7-14/h15H,2-7H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one has a molecular weight of 256.33 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one is sourced from PubChem (CID 75377879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).