furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene

C69H74N14O4S2 — CID 158304730

IUPACfuran;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene
SMILESC1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/2C9H7N.C8H7N.C5H5N.C5H10O.3C4H4N2.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h2*1-7H;1-4,6H,5H2;1-5H;1-5H2;3*1-4H;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyGMYAKFCHDJRCAA-UHFFFAOYSA-N
MW1227.58 g/mol
LogP16.16
Rot. Bonds

About furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene

furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene (PubChem CID 158304730) has the molecular formula C69H74N14O4S2 and a molecular weight of 1227.58 g/mol. Its IUPAC name is furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene.

Molecular Properties

Compound Namefuran;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene
PubChem CID158304730
Molecular FormulaC69H74N14O4S2
Molecular Weight1227.58 g/mol
Exact Mass1226.55
IUPAC Namefuran;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene
SMILESC1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/2C9H7N.C8H7N.C5H5N.C5H10O.3C4H4N2.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h2*1-7H;1-4,6H,5H2;1-5H;1-5H2;3*1-4H;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyGMYAKFCHDJRCAA-UHFFFAOYSA-N
XLogP16.16
TPSA227.57 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.58
LogP ≤ 516.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene with MolForge

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Related Compounds

benzene;furan;1H-imidazole;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
CID 160805940
1,3-benzothiazole;icosakis(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiophene
CID 159186770
azepane;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzoxazole;cyclobutane;cyclohexane;cyclopenta-1,3-diene;bis(cyclopentane);3,4-dihydro-2H-1,4-benzoxazine;bis(2,3-dihydro-1,3-benzoxazole);bis(3,4-dihydro-2H-chromene);bis(2,3-dihydro-1H-indene);1,4-dioxane;furan;1H-imidazole;1H-indene;1H-indole;3H-indole;isoquinoline;oxane;1,3-oxazole;oxetane;oxolane;piperidine;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline);1,3-thiazole;thiophene
CID 158931826
carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)
CID 159039177
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;isoquinoline;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 161427477
furan;1H-imidazole;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157308323
benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;1H-imidazole;isoquinoline;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene
CID 158687308
3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine;azepane;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;cyclobutane;cyclohexane;cyclopenta-1,3-diene;cyclopentane;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,3-benzoxazole;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;1,4-dioxane;1,3-dioxolane;furan;1H-indene;3H-indole;isoquinoline;oxane;1,3-oxazole;oxetane;oxolane;piperidine;pyrazine;1H-pyrazole;pyridine;pyrimidine;3H-pyrrole;quinazoline;quinoline;1,3-thiazole;thiolane;thiophene
CID 161427969
azetidine;1,3-benzodioxole;bicyclo[2.2.1]heptane;bicyclo[1.1.1]pentane;cumene;cyclopropane;bis(2,3-dihydro-1H-indene);furan;1H-imidazole;(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxolane;piperidine;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157068361
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 158213920
benzene;1-benzofuran;1-benzothiophene;1H-indole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;thiophene
CID 161273330
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;2H-triazole
CID 161092012

Frequently Asked Questions

What is the IUPAC name of furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene?
The IUPAC name of furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene (CID 158304730) is furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene.
What is the SMILES notation for furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene?
The canonical SMILES for furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene is C1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.
What is the InChIKey of furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene?
The InChIKey is GMYAKFCHDJRCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C8H7N.C5H5N.C5H10O.3C4H4N2.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h2*1-7H;1-4,6H,5H2;1-5H;1-5H2;3*1-4H;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H.
What are the key properties of furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene?
furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene has a molecular weight of 1227.58 g/mol, XLogP of 16.16, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene is sourced from PubChem (CID 158304730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).