benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole

C140H237N19OS3 — CID 161197916

IUPACbenzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
SMILESC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cscn1
InChIInChI=1S/C9H7N.C8H7N.2C7H6N2.C6H6.C5H5N.14C5H12.3C4H4N2.C4H4S.C3H3NO.2C3H3NS.C2H3N3.CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;14*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;/h1-7H;1-6,9H;2*1-5H,(H,8,9);1-6H;1-5H;14*1-4H3;3*1-4H;1-4H;3*1-3H;1-2H,(H,3,4,5);1H4
InChIKeyUUPAQAJHXYUVSO-UHFFFAOYSA-N
MW2298.77 g/mol
LogP45.61
Rot. Bonds

About benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole

benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole (PubChem CID 161197916) has the molecular formula C140H237N19OS3 and a molecular weight of 2298.77 g/mol. Its IUPAC name is benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole.

Molecular Properties

Compound Namebenzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
PubChem CID161197916
Molecular FormulaC140H237N19OS3
Molecular Weight2298.77 g/mol
Exact Mass2296.82
IUPAC Namebenzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
SMILESC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cscn1
InChIInChI=1S/C9H7N.C8H7N.2C7H6N2.C6H6.C5H5N.14C5H12.3C4H4N2.C4H4S.C3H3NO.2C3H3NS.C2H3N3.CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;14*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;/h1-7H;1-6,9H;2*1-5H,(H,8,9);1-6H;1-5H;14*1-4H3;3*1-4H;1-4H;3*1-3H;1-2H,(H,3,4,5);1H4
InChIKeyUUPAQAJHXYUVSO-UHFFFAOYSA-N
XLogP45.61
TPSA269.65 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.77
LogP ≤ 545.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole with MolForge

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Related Compounds

3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[1-[[6-(1,2-oxazol-3-yl)-4-(7H-purin-2-yl)-2-pyrazin-2-yl-3-quinazolin-2-yl-5-(1,2-thiazol-3-yl)-2H-pyridin-1-yl]oxy]-4-(7H-purin-2-yl)-2-pyrazin-2-yl-3-quinazolin-2-yl-5-(1,2-thiazol-3-yl)-2H-pyridin-6-yl]-1,2-oxazole
CID 141107816
1-benzothiophene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157229700
ethane;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157263132
1H-benzimidazole;1-benzothiophene;1H-imidazole;1H-indole;methane;1,2-oxazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157297598
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butylimidazole;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butylthiomorpholine;2-tert-butyltriazole;ethane;methane;7-methyl-1H-isoindole;3-methylpyridine;4-methylpyridine
CID 157461128
1,3-benzothiazole;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157483972
2-methyl-1,3-benzothiazole;1-methylimidazole;2-methylnaphthalene;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
CID 157757039
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
CID 157766823
butane;butan-2-one;methoxymethane;methyl acetate;3-methylazetidine;2-methyl-1,3-benzothiazole;methylcyclohexane;6-methylimidazo[1,2-b]pyridazine;4-methyloxane;4-methyl-1,2-oxazole;4-methylpiperidine;5-methyl-1H-pyrazole;2-methylpyridine;bis(3-methylpyridine);4-methyl-1H-pyridin-2-one;4-methylpyrimidine;3-methyl-1H-pyrrole;1-methylpyrrolidine;(3S)-3-methylpyrrolidine;2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 157803580
benzene;bis(1H-benzimidazole);1,3-benzothiazole;bis(1-benzothiophene);1,2-benzoxazole;ethane;1H-imidazole;bis(1H-indazole);bis(1H-indole);2-methyl-1,3-benzothiazole;3-methyl-1,2-benzoxazole;2-methyl-[1,3]thiazolo[4,5-b]pyrazine;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;naphthalene;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;1H-pyrrole;quinoline;1,3-thiazole;bis(thieno[2,3-b]pyrazine);bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thiophene
CID 157850467
3-methylcinnoline;1-methylimidazole;2-methyl-1H-imidazole;3-methyl-2H-indazole;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methylquinazoline;2-methylquinoxaline;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 157863458

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole?
The IUPAC name of benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole (CID 161197916) is benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole.
What is the SMILES notation for benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole?
The canonical SMILES for benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole is C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cscn1.
What is the InChIKey of benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole?
The InChIKey is UUPAQAJHXYUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H7N.2C7H6N2.C6H6.C5H5N.14C5H12.3C4H4N2.C4H4S.C3H3NO.2C3H3NS.C2H3N3.CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;14*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;/h1-7H;1-6,9H;2*1-5H,(H,8,9);1-6H;1-5H;14*1-4H3;3*1-4H;1-4H;3*1-3H;1-2H,(H,3,4,5);1H4.
What are the key properties of benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole?
benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole has a molecular weight of 2298.77 g/mol, XLogP of 45.61, 0 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole is sourced from PubChem (CID 161197916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).