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

C22H16N8OS — CID 141031533

IUPAC2-[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
SMILESc1ccc(C2=C(c3ncc[nH]3)N(c3ccco3)C(c3ccn[nH]3)N=C2c2nccs2)nc1
InChIInChI=1S/C22H16N8OS/c1-2-7-23-14(4-1)17-18(22-26-11-13-32-22)28-21(15-6-8-27-29-15)30(16-5-3-12-31-16)19(17)20-24-9-10-25-20/h1-13,21H,(H,24,25)(H,27,29)
InChIKeyJUPGYILZYMWUPF-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.15
Rot. Bonds5

About 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

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 (PubChem CID 141031533) has the molecular formula C22H16N8OS and a molecular weight of 440.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141031533
Molecular FormulaC22H16N8OS
Molecular Weight440.49 g/mol
Exact Mass440.12
IUPAC Name2-[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
SMILESc1ccc(C2=C(c3ncc[nH]3)N(c3ccco3)C(c3ccn[nH]3)N=C2c2nccs2)nc1
InChIInChI=1S/C22H16N8OS/c1-2-7-23-14(4-1)17-18(22-26-11-13-32-22)28-21(15-6-8-27-29-15)30(16-5-3-12-31-16)19(17)20-24-9-10-25-20/h1-13,21H,(H,24,25)(H,27,29)
InChIKeyJUPGYILZYMWUPF-UHFFFAOYSA-N
XLogP4.15
TPSA111.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 54189058
6-[2-(5-Methyl-1,3-thiazol-4-yl)ethynyl]-8-[(2-pyrazol-1-ylfuran-3-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89637825
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
CID 140977850
2-[2-(furan-2-yl)-5-pyridin-2-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-3-yl]-1,3-thiazole
CID 140989766
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-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-pyrimidin-2-yl-3H-pyrrol-4-yl]-1,3-thiazole
CID 140998060
2-[1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(thiolan-2-yl)-5-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 140999701
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141002498
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-ylpyrazol-3-yl]-1,3-thiazole
CID 141013788
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole
CID 141015432
1-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141036720

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=C(c3ncc[nH]3)N(c3ccco3)C(c3ccn[nH]3)N=C2c2nccs2)nc1.
What is the InChIKey of 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?
The InChIKey is JUPGYILZYMWUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8OS/c1-2-7-23-14(4-1)17-18(22-26-11-13-32-22)28-21(15-6-8-27-29-15)30(16-5-3-12-31-16)19(17)20-24-9-10-25-20/h1-13,21H,(H,24,25)(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 440.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141031533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).