2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole

C48H68N12O3S2 — CID 158078246

IUPAC2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole
SMILESCc1cccnc1C.Cc1ccoc1C.Cc1cncnc1C.Cc1nccn1C.Cc1ncnn1C.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C
InChIInChI=1S/C7H9N.C6H8N2.C6H8O.C5H8N2.2C5H7NO.2C5H7NS.C4H7N3/c1-6-4-3-5-8-7(6)2;1-5-3-7-4-8-6(5)2;1-5-3-4-7-6(5)2;1-5-6-3-4-7(5)2;4*1-4-5(2)7-3-6-4;1-4-5-3-6-7(4)2/h3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;5*3H,1-2H3
InChIKeyFMQBAVXWYPMHOV-UHFFFAOYSA-N
MW925.29 g/mol
LogP11.64
Rot. Bonds

About 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole

2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole (PubChem CID 158078246) has the molecular formula C48H68N12O3S2 and a molecular weight of 925.29 g/mol. Its IUPAC name is 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole
PubChem CID158078246
Molecular FormulaC48H68N12O3S2
Molecular Weight925.29 g/mol
Exact Mass924.50
IUPAC Name2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole
SMILESCc1cccnc1C.Cc1ccoc1C.Cc1cncnc1C.Cc1nccn1C.Cc1ncnn1C.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C
InChIInChI=1S/C7H9N.C6H8N2.C6H8O.C5H8N2.2C5H7NO.2C5H7NS.C4H7N3/c1-6-4-3-5-8-7(6)2;1-5-3-7-4-8-6(5)2;1-5-3-4-7-6(5)2;1-5-6-3-4-7(5)2;4*1-4-5(2)7-3-6-4;1-4-5-3-6-7(4)2/h3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;5*3H,1-2H3
InChIKeyFMQBAVXWYPMHOV-UHFFFAOYSA-N
XLogP11.64
TPSA178.18 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.29
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole 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

cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158110433
2,3-dimethyl-1,3-benzothiazol-3-ium;2,3-dimethyl-2H-1,3-benzoxazole;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethylpyrimidin-1-ium;1,2-dimethyl-5-(trifluoromethyl)pyridin-1-ium;3-methyldithiol-1-ium;2-methyl-1,3-oxazole;2-methylpyrylium;2-methylthiopyrylium;1,2,3-trimethylbenzimidazol-3-ium;1,2,3-trimethyl-2H-imidazole-1,3-diium;1,2,3-trimethylpyrazol-1-ium;1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 160116091
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;2-[(4-methylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161459908
4-bromo-1-methylpyrazole;4-chloro-1-methylpyrazole;2,3-dimethylfuran;bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,3-dimethylthiophene;1-ethyl-4-methylpyrazole;4-fluoro-1-methylpyrazole;3-fluoro-5-methylpyridine;4-iodo-1-methylpyrazole;4-methoxy-1-methylpyrazole;2-methyl-4,5-bis(trifluoromethyl)triazole;3-methylfuran;1-methylimidazole;1-methylpyrazole;1-methylpyrazole-4-carbonitrile;3-methylpyridine;1-methylpyrrole;5-methyl-2H-tetrazole;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1-(2,2,2-trifluoroethyl)pyrazole;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;1-methyl-4-(trifluoromethyl)pyrazole;1-methyl-3-(trifluoromethyl)pyrrole;2-methyl-5-(trifluoromethyl)tetrazole;1-methyl-4-(trifluoromethyl)triazole;2-methyl-4-(trifluoromethyl)triazole;2,4,5-trimethyl-1,3-thiazole
CID 161658423
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161686232
2-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3934669
N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
CID 91486337
2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
Bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 157088291
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;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;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-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 157112642

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole (CID 158078246) is 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole is Cc1cccnc1C.Cc1ccoc1C.Cc1cncnc1C.Cc1nccn1C.Cc1ncnn1C.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.
What is the InChIKey of 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole?
The InChIKey is FMQBAVXWYPMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H8N2.C6H8O.C5H8N2.2C5H7NO.2C5H7NS.C4H7N3/c1-6-4-3-5-8-7(6)2;1-5-3-7-4-8-6(5)2;1-5-3-4-7-6(5)2;1-5-6-3-4-7(5)2;4*1-4-5(2)7-3-6-4;1-4-5-3-6-7(4)2/h3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;5*3H,1-2H3.
What are the key properties of 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole?
2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole has a molecular weight of 925.29 g/mol, XLogP of 11.64, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 158078246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).