3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole

C13H24N4OS — CID 133328707

IUPAC3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CCOC(C)C)CC2)n1
InChIInChI=1S/C13H24N4OS/c1-4-12-14-13(19-15-12)17-7-5-16(6-8-17)9-10-18-11(2)3/h11H,4-10H2,1-3H3
InChIKeyJWGFCZRVSWPGJT-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.65
Rot. Bonds6

About 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133328707) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133328707
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CCOC(C)C)CC2)n1
InChIInChI=1S/C13H24N4OS/c1-4-12-14-13(19-15-12)17-7-5-16(6-8-17)9-10-18-11(2)3/h11H,4-10H2,1-3H3
InChIKeyJWGFCZRVSWPGJT-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328564
3-ethyl-5-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141837
3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126817237
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
CID 65270394
methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
CID 133328682
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274711
3-methyl-5-[4-[2-(3-methylbutoxy)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 71855775
ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
CID 124505890
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
3-ethyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 133328698
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 133328642

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133328707) is 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCN(CCOC(C)C)CC2)n1.
What is the InChIKey of 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is JWGFCZRVSWPGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-12-14-13(19-15-12)17-7-5-16(6-8-17)9-10-18-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 284.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133328707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).