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

C56H92N8OS2 — CID 157461701

IUPACethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=NCC=C1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccc2ccccc12.Cc1ncco1.Cc1nccs1.c1ccncc1
InChIInChI=1S/C10H9N.C8H7NS.C5H7N.C5H5N.C4H6N2.C4H5NO.C4H5NS.8C2H6/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1;3*1-4-5-2-3-6-4;8*1-2/h2-7H,1H3;2-5H,1H3;2-3H,4H2,1H3;1-5H;2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1-2H3
InChIKeyBTZSBSDCNKVLTJ-UHFFFAOYSA-N
MW957.54 g/mol
LogP18.61
Rot. Bonds

About 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

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 (PubChem CID 157461701) has the molecular formula C56H92N8OS2 and a molecular weight of 957.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID157461701
Molecular FormulaC56H92N8OS2
Molecular Weight957.54 g/mol
Exact Mass956.68
IUPAC Nameethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1=NCC=C1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccc2ccccc12.Cc1ncco1.Cc1nccs1.c1ccncc1
InChIInChI=1S/C10H9N.C8H7NS.C5H7N.C5H5N.C4H6N2.C4H5NO.C4H5NS.8C2H6/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1;3*1-4-5-2-3-6-4;8*1-2/h2-7H,1H3;2-5H,1H3;2-3H,4H2,1H3;1-5H;2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1-2H3
InChIKeyBTZSBSDCNKVLTJ-UHFFFAOYSA-N
XLogP18.61
TPSA118.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.54
LogP ≤ 518.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 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

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-[1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-1-(7H-purin-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,5-thiadiazol-1-yl]-1,3-oxazole
CID 141080147
Ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976521
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
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
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
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
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
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
2,9-dimethyl-1,10-phenanthroline;2,5-dimethyl-1-propan-2-ylpyrrole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methyl-1,10-phenanthroline;pentakis(2-methylpropane);1-methyl-2-propan-2-ylisoindole;2-methyl-1-propan-2-ylpyrrole;2-methyl-1,3-thiazole
CID 157655573
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC1=NCC=C1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccc2ccccc12.Cc1ncco1.Cc1nccs1.c1ccncc1.
What is the InChIKey of 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?
The InChIKey is BTZSBSDCNKVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C8H7NS.C5H7N.C5H5N.C4H6N2.C4H5NO.C4H5NS.8C2H6/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1;3*1-4-5-2-3-6-4;8*1-2/h2-7H,1H3;2-5H,1H3;2-3H,4H2,1H3;1-5H;2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 957.54 g/mol, XLogP of 18.61, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157461701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).