3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole

C21H13N11S2 — CID 141084271

IUPAC3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole
SMILESc1ccc(C2=C(c3ncsn3)N(c3csnn3)NC(c3cnccn3)=C2c2ncccn2)nc1
InChIInChI=1S/C21H13N11S2/c1-2-5-23-13(4-1)16-17(20-25-6-3-7-26-20)18(14-10-22-8-9-24-14)29-32(15-11-33-31-28-15)19(16)21-27-12-34-30-21/h1-12,29H
InChIKeyIPQYCHUIIBDSCH-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.83
Rot. Bonds5

About 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole

3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole (PubChem CID 141084271) has the molecular formula C21H13N11S2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole
PubChem CID141084271
Molecular FormulaC21H13N11S2
Molecular Weight483.55 g/mol
Exact Mass483.08
IUPAC Name3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole
SMILESc1ccc(C2=C(c3ncsn3)N(c3csnn3)NC(c3cnccn3)=C2c2ncccn2)nc1
InChIInChI=1S/C21H13N11S2/c1-2-5-23-13(4-1)16-17(20-25-6-3-7-26-20)18(14-10-22-8-9-24-14)29-32(15-11-33-31-28-15)19(16)21-27-12-34-30-21/h1-12,29H
InChIKeyIPQYCHUIIBDSCH-UHFFFAOYSA-N
XLogP2.83
TPSA131.28 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole with MolForge

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Related Compounds

3-[3-(2-methylpyrimidin-4-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 11669877
4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole
CID 91488316
2-(1-Phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole
CID 91802537
4-[1-[(6-Ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 135272728
3-[5-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-4H-1,2,4-triazin-2-yl]-1,2,4-thiadiazole
CID 141035244
4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole
CID 141042259
3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole
CID 141051023
2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole
CID 141071917
4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole
CID 141104600
4-[6-pyrazin-2-yl-5-pyridazin-3-yl-3-pyridin-2-yl-4-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-1-(triazin-4-yl)cyclohexa-2,4-dien-1-yl]thiadiazole
CID 141131216
4-[3-pyrazin-2-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4H-pyridazin-6-yl]thiadiazole
CID 141147609
4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole
CID 141149906

Frequently Asked Questions

What is the IUPAC name of 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole (CID 141084271) is 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole is c1ccc(C2=C(c3ncsn3)N(c3csnn3)NC(c3cnccn3)=C2c2ncccn2)nc1.
What is the InChIKey of 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole?
The InChIKey is IPQYCHUIIBDSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N11S2/c1-2-5-23-13(4-1)16-17(20-25-6-3-7-26-20)18(14-10-22-8-9-24-14)29-32(15-11-33-31-28-15)19(16)21-27-12-34-30-21/h1-12,29H.
What are the key properties of 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole?
3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole has a molecular weight of 483.55 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 141084271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).