3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole

C17H18N6S — CID 139029459

IUPAC3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1
InChIInChI=1S/C17H18N6S/c1-13-18-17(24-21-13)23-11-9-22(10-12-23)16-8-7-15(19-20-16)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyGIMGULGTKYBFRD-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.63
Rot. Bonds3

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

3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 139029459) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID139029459
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1
InChIInChI=1S/C17H18N6S/c1-13-18-17(24-21-13)23-11-9-22(10-12-23)16-8-7-15(19-20-16)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyGIMGULGTKYBFRD-UHFFFAOYSA-N
XLogP2.63
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
CID 108772733
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122054013
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 108772905
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 139028022
2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
CID 163347818
3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole
CID 19608320
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
CID 108772920

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 139029459) is 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1nsc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1.
What is the InChIKey of 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is GIMGULGTKYBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-13-18-17(24-21-13)23-11-9-22(10-12-23)16-8-7-15(19-20-16)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3.
What are the key properties of 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 338.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 139029459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).