[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C16H16N6O2S — CID 121058795

IUPAC[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C16H16N6O2S/c1-11-15(25-20-17-11)16(23)22-8-6-21(7-9-22)14-5-4-12(18-19-14)13-3-2-10-24-13/h2-5,10H,6-9H2,1H3
InChIKeyVMVFOBATOKBAIC-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.86
Rot. Bonds3

About [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 121058795) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID121058795
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C16H16N6O2S/c1-11-15(25-20-17-11)16(23)22-8-6-21(7-9-22)14-5-4-12(18-19-14)13-3-2-10-24-13/h2-5,10H,6-9H2,1H3
InChIKeyVMVFOBATOKBAIC-UHFFFAOYSA-N
XLogP1.86
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121053966
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 41233117
1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 18569361
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121058794
(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 41233115
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 41233208
6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one
CID 41233205

Frequently Asked Questions

What is the IUPAC name of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 121058795) is [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is VMVFOBATOKBAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-11-15(25-20-17-11)16(23)22-8-6-21(7-9-22)14-5-4-12(18-19-14)13-3-2-10-24-13/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 356.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 121058795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).