5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole

C19H22N6S2 — CID 133389858

IUPAC5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(c3cncc(SCc4ccccc4)n3)CC2)n1
InChIInChI=1S/C19H22N6S2/c1-2-16-21-19(27-23-16)25-10-8-24(9-11-25)17-12-20-13-18(22-17)26-14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3
InChIKeyBIRKTPXAOSGWGX-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.51
Rot. Bonds6

About 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole

5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 133389858) has the molecular formula C19H22N6S2 and a molecular weight of 398.56 g/mol. Its IUPAC name is 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID133389858
Molecular FormulaC19H22N6S2
Molecular Weight398.56 g/mol
Exact Mass398.13
IUPAC Name5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(c3cncc(SCc4ccccc4)n3)CC2)n1
InChIInChI=1S/C19H22N6S2/c1-2-16-21-19(27-23-16)25-10-8-24(9-11-25)17-12-20-13-18(22-17)26-14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3
InChIKeyBIRKTPXAOSGWGX-UHFFFAOYSA-N
XLogP3.51
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 133389821
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 133390013
4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479425
3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 166199012
[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 133389485
3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133358660
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
2-benzylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrazine
CID 133390082

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (CID 133389858) is 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCN(c3cncc(SCc4ccccc4)n3)CC2)n1.
What is the InChIKey of 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is BIRKTPXAOSGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S2/c1-2-16-21-19(27-23-16)25-10-8-24(9-11-25)17-12-20-13-18(22-17)26-14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3.
What are the key properties of 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 398.56 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133389858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).