ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole

C119H220N14OS — CID 158202272

IUPACethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2n1C.c1cc[nH]c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C11H14N2.2C9H7N.C8H6N2.C5H5N.2C4H4N2.C4H5N.9C4H10.C3H3NO.C3H3NS.10C2H6.3CH4/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-2-6-9-8(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)5-9-6-10-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;9*1-4(2)3;2*1-2-5-3-4-1;10*1-2;;;/h4-8H,1-3H3;2*1-7H;1-6H;1-5H;2*1-4H;1-5H;9*4H,1-3H3;2*1-3H;10*1-2H3;3*1H4
InChIKeyGBBUHHKBZIYUBE-UHFFFAOYSA-N
MW1895.23 g/mol
LogP40.79
Rot. Bonds1

About ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole

ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole (PubChem CID 158202272) has the molecular formula C119H220N14OS and a molecular weight of 1895.23 g/mol. Its IUPAC name is ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole.

Molecular Properties

Compound Nameethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole
PubChem CID158202272
Molecular FormulaC119H220N14OS
Molecular Weight1895.23 g/mol
Exact Mass1893.73
IUPAC Nameethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2n1C.c1cc[nH]c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C11H14N2.2C9H7N.C8H6N2.C5H5N.2C4H4N2.C4H5N.9C4H10.C3H3NO.C3H3NS.10C2H6.3CH4/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-2-6-9-8(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)5-9-6-10-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;9*1-4(2)3;2*1-2-5-3-4-1;10*1-2;;;/h4-8H,1-3H3;2*1-7H;1-6H;1-5H;2*1-4H;1-5H;9*4H,1-3H3;2*1-3H;10*1-2H3;3*1H4
InChIKeyGBBUHHKBZIYUBE-UHFFFAOYSA-N
XLogP40.79
TPSA188.54 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.23
LogP ≤ 540.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1H-indol-2-yl)-4-isoquinolin-1-yl-6-(1H-pyrrol-2-yl)-5-quinolin-2-yl-7-(1,2-thiazol-3-yl)benzimidazol-1-yl]-1,3-oxazole
CID 141045096
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
CID 141050919
2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
CID 141144443
5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine
CID 148548203
acridine;1H-imidazole;isoquinoline;1,3-oxazole;phenazine;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;thiophene
CID 157082421
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
cumene;methane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157260811
2,4-Bis(2,6-dimethylphenyl)-1,6-dimethyl-1,3,5-triazin-1-ium;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethyl-3-phenylbenzimidazol-1-ium;1,2-dimethyl-3-phenylimidazol-1-ium;3,4-dimethyl-1-phenylimidazol-1-ium;2,3-dimethyl-1,3-thiazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylimidazol-3-ium
CID 157402023
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324
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
ethane;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;1-methylisoquinoline;2-methyl-1,3-oxazole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;pyridine
CID 157461701
CID 157525435
CID 157525435

Frequently Asked Questions

What is the IUPAC name of ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole?
The IUPAC name of ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole (CID 158202272) is ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole.
What is the SMILES notation for ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole?
The canonical SMILES for ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2n1C.c1cc[nH]c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.
What is the InChIKey of ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole?
The InChIKey is GBBUHHKBZIYUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.2C9H7N.C8H6N2.C5H5N.2C4H4N2.C4H5N.9C4H10.C3H3NO.C3H3NS.10C2H6.3CH4/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-2-6-9-8(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)5-9-6-10-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;9*1-4(2)3;2*1-2-5-3-4-1;10*1-2;;;/h4-8H,1-3H3;2*1-7H;1-6H;1-5H;2*1-4H;1-5H;9*4H,1-3H3;2*1-3H;10*1-2H3;3*1H4.
What are the key properties of ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole?
ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole has a molecular weight of 1895.23 g/mol, XLogP of 40.79, 1 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isoquinoline;methane;nonakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;1,3-thiazole is sourced from PubChem (CID 158202272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).