benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole

C55H84N10O2S — CID 160553255

IUPACbenzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc2ncccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1ncon1
InChIInChI=1S/C9H7N.C7H6N2.C6H6.C5H5N.C4H4N2.C3H3NO.C3H3NS.C2H2N2O.8C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;8*1-2/h1-7H;1-6H;1-6H;1-5H;1-4H;2*1-3H;1-2H;8*1-2H3
InChIKeyQYISVTQAWIQXNT-UHFFFAOYSA-N
MW949.41 g/mol
LogP16.91
Rot. Bonds

About benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole

benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole (PubChem CID 160553255) has the molecular formula C55H84N10O2S and a molecular weight of 949.41 g/mol. Its IUPAC name is benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole.

Molecular Properties

Compound Namebenzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
PubChem CID160553255
Molecular FormulaC55H84N10O2S
Molecular Weight949.41 g/mol
Exact Mass948.65
IUPAC Namebenzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc2ncccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1ncon1
InChIInChI=1S/C9H7N.C7H6N2.C6H6.C5H5N.C4H4N2.C3H3NO.C3H3NS.C2H2N2O.8C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;8*1-2/h1-7H;1-6H;1-6H;1-5H;1-4H;2*1-3H;1-2H;8*1-2H3
InChIKeyQYISVTQAWIQXNT-UHFFFAOYSA-N
XLogP16.91
TPSA146.70 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.41
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

6-[[1-[2-[[4-Amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4-pyridinyl]pyridin-1-ium-3-yl]methyl]-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 90946857
2-[2-Pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole
CID 141180705
benzene;ethane;2H-imidazo[1,2-a]pyridin-4-ium;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 157210642
Tripotassium;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-thiadiazole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole
CID 157277371
3-[5-(1,3-Benzothiazol-3-ium-3-yl)-3-pyridinyl]-1,3-benzothiazol-3-ium;3-[5-(1,3-oxazol-3-ium-3-yl)-3-pyridinyl]-1,3-oxazol-3-ium;3-[6-(1,3-oxazol-3-ium-3-yl)pyrimidin-4-yl]-1,3-oxazol-3-ium;3-[3-phenyl-5-(1,3-thiazol-3-ium-3-yl)phenyl]-1,3-thiazol-3-ium
CID 157403747
1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
CID 157457971
Imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium
CID 157458212
CID 157525435
CID 157525435
5-Chloro-2-methylpyridine;1,2-dimethylimidazole;2,6-dimethylpyridine;2-methyl-1,3-benzothiazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methylquinoline;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine
CID 157619177
2-Tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;methane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole
CID 157705232
2-(3-methyl-2H-imidazol-2-id-1-yl)-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylimidazol-2-yl)-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-[11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole
CID 157706845
Imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;1,3-thiazole;yttrium
CID 157811109

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole?
The IUPAC name of benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole (CID 160553255) is benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole.
What is the SMILES notation for benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole?
The canonical SMILES for benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2ncccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1ncon1.
What is the InChIKey of benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole?
The InChIKey is QYISVTQAWIQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H6N2.C6H6.C5H5N.C4H4N2.C3H3NO.C3H3NS.C2H2N2O.8C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;8*1-2/h1-7H;1-6H;1-6H;1-5H;1-4H;2*1-3H;1-2H;8*1-2H3.
What are the key properties of benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole?
benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole has a molecular weight of 949.41 g/mol, XLogP of 16.91, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole is sourced from PubChem (CID 160553255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).