4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine

C30H30N8O3S2 — CID 141050929

IUPAC4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine
SMILESc1coc(C2=C(c3cccs3)C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)(N3CCOCC3)N2N2CCNCC2)c1
InChIInChI=1S/C30H30N8O3S2/c1-3-21(40-15-1)26-23(22-4-2-19-42-22)24(27-32-9-16-41-27)25(28-33-10-20-43-28)30(29-34-5-6-35-29,36-13-17-39-18-14-36)38(26)37-11-7-31-8-12-37/h1-6,9-10,15-16,19-20,31H,7-8,11-14,17-18H2,(H,34,35)
InChIKeyIFTHEYJUMLABKA-UHFFFAOYSA-N
MW614.76 g/mol
LogP4.31
Rot. Bonds7

About 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine

4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine (PubChem CID 141050929) has the molecular formula C30H30N8O3S2 and a molecular weight of 614.76 g/mol. Its IUPAC name is 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine
PubChem CID141050929
Molecular FormulaC30H30N8O3S2
Molecular Weight614.76 g/mol
Exact Mass614.19
IUPAC Name4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine
SMILESc1coc(C2=C(c3cccs3)C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)(N3CCOCC3)N2N2CCNCC2)c1
InChIInChI=1S/C30H30N8O3S2/c1-3-21(40-15-1)26-23(22-4-2-19-42-22)24(27-32-9-16-41-27)25(28-33-10-20-43-28)30(29-34-5-6-35-29,36-13-17-39-18-14-36)38(26)37-11-7-31-8-12-37/h1-6,9-10,15-16,19-20,31H,7-8,11-14,17-18H2,(H,34,35)
InChIKeyIFTHEYJUMLABKA-UHFFFAOYSA-N
XLogP4.31
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.76
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine with MolForge

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Related Compounds

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
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole
CID 141050954
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
CID 141050974
2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole
CID 141064059
2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
CID 141109663
2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole;2-thiophen-2-ylfuran
CID 157898045
1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidin-2-one;2-propan-2-yl-1,3-thiazole
CID 157924996
methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
CID 158918789
2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene
CID 161971917

Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine (CID 141050929) is 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine is c1coc(C2=C(c3cccs3)C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)(N3CCOCC3)N2N2CCNCC2)c1.
What is the InChIKey of 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine?
The InChIKey is IFTHEYJUMLABKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O3S2/c1-3-21(40-15-1)26-23(22-4-2-19-42-22)24(27-32-9-16-41-27)25(28-33-10-20-43-28)30(29-34-5-6-35-29,36-13-17-39-18-14-36)38(26)37-11-7-31-8-12-37/h1-6,9-10,15-16,19-20,31H,7-8,11-14,17-18H2,(H,34,35).
What are the key properties of 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine?
4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine has a molecular weight of 614.76 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,3-oxazol-2-yl)-1-piperazin-1-yl-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2-pyridinyl]morpholine is sourced from PubChem (CID 141050929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).