ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole

C62H99N13O2S — CID 157271812

IUPACethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1cccnc1.Cc1ccno1.Cc1ccon1.Cc1cncnc1.Cc1nc2ccccc2[nH]1.Cc1nncs1
InChIInChI=1S/3C8H8N2.C6H7N.C5H6N2.2C4H5NO.C3H4N2S.8C2H6/c1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-5-4-2-6-3;8*1-2/h3*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2H,1H3;8*1-2H3
InChIKeyAYPZBCWMFOGMEF-UHFFFAOYSA-N
MW1090.63 g/mol
LogP18.81
Rot. Bonds

About ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole

ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole (PubChem CID 157271812) has the molecular formula C62H99N13O2S and a molecular weight of 1090.63 g/mol. Its IUPAC name is ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole
PubChem CID157271812
Molecular FormulaC62H99N13O2S
Molecular Weight1090.63 g/mol
Exact Mass1089.78
IUPAC Nameethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1cccnc1.Cc1ccno1.Cc1ccon1.Cc1cncnc1.Cc1nc2ccccc2[nH]1.Cc1nncs1
InChIInChI=1S/3C8H8N2.C6H7N.C5H6N2.2C4H5NO.C3H4N2S.8C2H6/c1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-5-4-2-6-3;8*1-2/h3*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2H,1H3;8*1-2H3
InChIKeyAYPZBCWMFOGMEF-UHFFFAOYSA-N
XLogP18.81
TPSA202.55 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001090.63
LogP ≤ 518.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-[3-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-1-quinolin-2-yl-7-(1H-tetrazol-5-yl)isoquinolin-5-yl]-1,2-oxazole
CID 141064053
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 158340044
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine
CID 158398925
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 158452445
5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)
CID 158455588
2-methyl-1H-benzimidazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene
CID 159307252
1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine
CID 159930097
bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-pyrazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 160135881
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 160669290
cumene;2-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylisoquinoline;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 160694505
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 161360904

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole?
The IUPAC name of ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole (CID 157271812) is ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole.
What is the SMILES notation for ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole?
The canonical SMILES for ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1cccnc1.Cc1ccno1.Cc1ccon1.Cc1cncnc1.Cc1nc2ccccc2[nH]1.Cc1nncs1.
What is the InChIKey of ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole?
The InChIKey is AYPZBCWMFOGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8N2.C6H7N.C5H6N2.2C4H5NO.C3H4N2S.8C2H6/c1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-5-4-2-6-3;8*1-2/h3*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2H,1H3;8*1-2H3.
What are the key properties of ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole?
ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole has a molecular weight of 1090.63 g/mol, XLogP of 18.81, 0 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 157271812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).