2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole

C69H72N18O2S2 — CID 158298665

IUPAC2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
SMILESCc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1nnco1.Cc1nncs1
InChIInChI=1S/3C10H9N.2C9H8N2.C4H6N2.C4H5NO.C4H5NS.C3H5N3.C3H4N2O.C3H4N2S/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;3*1-4-5-2-3-6-4;1-3-4-2-5-6-3;2*1-3-5-4-2-6-3/h3*2-7H,1H3;2*2-6H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3
InChIKeyGMFNGPXFYQTAMI-UHFFFAOYSA-N
MW1249.59 g/mol
LogP16.00
Rot. Bonds

About 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole

2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole (PubChem CID 158298665) has the molecular formula C69H72N18O2S2 and a molecular weight of 1249.59 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
PubChem CID158298665
Molecular FormulaC69H72N18O2S2
Molecular Weight1249.59 g/mol
Exact Mass1248.55
IUPAC Name2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
SMILESCc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1nnco1.Cc1nncs1
InChIInChI=1S/3C10H9N.2C9H8N2.C4H6N2.C4H5NO.C4H5NS.C3H5N3.C3H4N2O.C3H4N2S/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;3*1-4-5-2-3-6-4;1-3-4-2-5-6-3;2*1-3-5-4-2-6-3/h3*2-7H,1H3;2*2-6H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3
InChIKeyGMFNGPXFYQTAMI-UHFFFAOYSA-N
XLogP16.00
TPSA264.10 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.59
LogP ≤ 516.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 158621530
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
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
acridine;1H-imidazole;isoquinoline;1,3-oxazole;phenazine;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;thiophene
CID 157082421
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
5-methyl-1H-imidazole;4-methylisoquinoline;5-methylisoquinoline;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);4-methylquinoline;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 157174574
propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole
CID 157220401
bis(2,6-dimethyl-1H-benzimidazole);bis(2,7-dimethyl-3H-benzo[e]benzimidazole);2,7-dimethyl-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-3H-imidazo[4,5-b]pyrazine);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tris(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,8-dimethyl-7H-purine);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-1H-imidazole
CID 157379391
CID 157390828
CID 157390828
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
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-3H-imidazo[4,5-b]pyrazine;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;2,8-dimethyl-7H-purine;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane
CID 157422107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole (CID 158298665) is 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole is Cc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1nnco1.Cc1nncs1.
What is the InChIKey of 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is GMFNGPXFYQTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H9N.2C9H8N2.C4H6N2.C4H5NO.C4H5NS.C3H5N3.C3H4N2O.C3H4N2S/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;3*1-4-5-2-3-6-4;1-3-4-2-5-6-3;2*1-3-5-4-2-6-3/h3*2-7H,1H3;2*2-6H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3.
What are the key properties of 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?
2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1249.59 g/mol, XLogP of 16.00, 0 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;3-methylisoquinoline;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158298665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).