5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole

C33H25N13OS2 — CID 141114805

IUPAC5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
SMILESc1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncccn3)C(c3ccco3)=C(c3ccn[nH]3)C(c3nccs3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C33H25N13OS2/c1-2-10-35-25(7-1)49(26-8-3-13-42-45-26,27-22-34-15-16-36-27,33-40-11-5-12-41-33)30(24-6-4-20-47-24)28(23-9-14-43-44-23)29(31-37-19-21-48-31)46(49)32-38-17-18-39-32/h1-22,29H,(H,38,39)(H,43,44)
InChIKeyPIXWJZBVCYDEMI-UHFFFAOYSA-N
MW683.79 g/mol
LogP6.10
Rot. Bonds8

About 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole

5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole (PubChem CID 141114805) has the molecular formula C33H25N13OS2 and a molecular weight of 683.79 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
PubChem CID141114805
Molecular FormulaC33H25N13OS2
Molecular Weight683.79 g/mol
Exact Mass683.17
IUPAC Name5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
SMILESc1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncccn3)C(c3ccco3)=C(c3ccn[nH]3)C(c3nccs3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C33H25N13OS2/c1-2-10-35-25(7-1)49(26-8-3-13-42-45-26,27-22-34-15-16-36-27,33-40-11-5-12-41-33)30(24-6-4-20-47-24)28(23-9-14-43-44-23)29(31-37-19-21-48-31)46(49)32-38-17-18-39-32/h1-22,29H,(H,38,39)(H,43,44)
InChIKeyPIXWJZBVCYDEMI-UHFFFAOYSA-N
XLogP6.10
TPSA176.86 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole with MolForge

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Related Compounds

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole
CID 140996446
2-[4-(1,3-diazinan-1-yl)-5-(furan-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridin-2-ylthiophen-3-yl]pyrimidine
CID 140996912
4-[4-(furan-2-yl)-2-piperazin-1-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)thiophen-3-yl]triazine
CID 140999265
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2H-pyrimidin-4-yl]-1,3-thiazole
CID 141031533
2-[5-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiophen-3-yl]pyrimidine
CID 141068317
4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole
CID 141114803
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole
CID 141126487
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole
CID 141145252
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole
CID 141151192
6-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
CID 141151562
3-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(thiadiazol-4-yl)thiophen-1-yl]-1,2,5-thiadiazole
CID 141181900

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole?
The IUPAC name of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole (CID 141114805) is 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole.
What is the SMILES notation for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole?
The canonical SMILES for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole is c1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncccn3)C(c3ccco3)=C(c3ccn[nH]3)C(c3nccs3)N2c2ncc[nH]2)nc1.
What is the InChIKey of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole?
The InChIKey is PIXWJZBVCYDEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N13OS2/c1-2-10-35-25(7-1)49(26-8-3-13-42-45-26,27-22-34-15-16-36-27,33-40-11-5-12-41-33)30(24-6-4-20-47-24)28(23-9-14-43-44-23)29(31-37-19-21-48-31)46(49)32-38-17-18-39-32/h1-22,29H,(H,38,39)(H,43,44).
What are the key properties of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole?
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole has a molecular weight of 683.79 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole is sourced from PubChem (CID 141114805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).