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

C17H18N6S — CID 108772733

IUPAC2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)s1
InChIInChI=1S/C17H18N6S/c1-13-18-21-17(24-13)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
InChIKeyOGSPYPOMRLMROP-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.63
Rot. Bonds3

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

2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 108772733) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID108772733
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)s1
InChIInChI=1S/C17H18N6S/c1-13-18-21-17(24-13)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
InChIKeyOGSPYPOMRLMROP-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

3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 139029459
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 139027435
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 139022993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole (CID 108772733) is 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)s1.
What is the InChIKey of 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is OGSPYPOMRLMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-13-18-21-17(24-13)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 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-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 2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 108772733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).