6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine

C19H22N6O2S2 — CID 122348014

IUPAC6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)s1
InChIInChI=1S/C19H22N6O2S2/c1-2-16-3-6-19(28-16)29(26,27)25-13-11-24(12-14-25)18-5-4-17(22-23-18)21-15-7-9-20-10-8-15/h3-10H,2,11-14H2,1H3,(H,20,21,22)
InChIKeySWRZVCKURHBLKO-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.75
Rot. Bonds6

About 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine

6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine (PubChem CID 122348014) has the molecular formula C19H22N6O2S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
PubChem CID122348014
Molecular FormulaC19H22N6O2S2
Molecular Weight430.56 g/mol
Exact Mass430.12
IUPAC Name6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)s1
InChIInChI=1S/C19H22N6O2S2/c1-2-16-3-6-19(28-16)29(26,27)25-13-11-24(12-14-25)18-5-4-17(22-23-18)21-15-7-9-20-10-8-15/h3-10H,2,11-14H2,1H3,(H,20,21,22)
InChIKeySWRZVCKURHBLKO-UHFFFAOYSA-N
XLogP2.75
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490653
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
CID 122348021
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337353
1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 121065235
N-(4-methylphenyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 7178093

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine (CID 122348014) is 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)s1.
What is the InChIKey of 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The InChIKey is SWRZVCKURHBLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S2/c1-2-16-3-6-19(28-16)29(26,27)25-13-11-24(12-14-25)18-5-4-17(22-23-18)21-15-7-9-20-10-8-15/h3-10H,2,11-14H2,1H3,(H,20,21,22).
What are the key properties of 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine has a molecular weight of 430.56 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine is sourced from PubChem (CID 122348014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).