3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole

C66H80ClF9N16O2S2 — CID 158002845

About 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole

3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole (PubChem CID 158002845) has the molecular formula C66H80ClF9N16O2S2 and a molecular weight of 1400.04 g/mol. Its IUPAC name is 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole.

Molecular Properties

• Compound Name: 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
• PubChem CID: 158002845
• Molecular Formula: C66H80ClF9N16O2S2
• Molecular Weight: 1400.04 g/mol
• Exact Mass: 1398.56
• IUPAC Name: 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
• SMILES: Cc1cccn1C.Cc1ccno1.Cc1ccoc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cnccn1.Cc1cncnc1C(F)(F)F.Cc1nccc(C(F)(F)F)c1C.Cc1ncn(C)c1C.Cc1nn(-c2ccccc2)nc1C.Cc1nnsc1C.Cc1sccc1Cl
• InChI: InChI=1S/C10H11N3.C8H8F3N.C6H7F3N2.C6H5F3N2.C6H10N2.C6H9N.C6H8O.C5H5ClS.C5H6N2.C4H6N2S.C4H5NO/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-5-6(2)12-4-3-7(5)8(9,10)11;1-4-3-11(2)10-5(4)6(7,8)9;1-4-2-10-3-11-5(4)6(7,8)9;1-5-6(2)8(3)4-7-5;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4-5(6)2-3-7-4;1-5-4-6-2-3-7-5;1-3-4(2)7-6-5-3;1-4-2-3-5-6-4/h3-7H,1-2H3;3-4H,1-2H3;3H,1-2H3;2-3H,1H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3;1-2H3;2-3H,1H3
• InChIKey: FDYAGMCJTNVCDS-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 200.68 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 1
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.04
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?

The IUPAC name of 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole (CID 158002845) is 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole.

What is the SMILES notation for 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?

The canonical SMILES for 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole is Cc1cccn1C.Cc1ccno1.Cc1ccoc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cnccn1.Cc1cncnc1C(F)(F)F.Cc1nccc(C(F)(F)F)c1C.Cc1ncn(C)c1C.Cc1nn(-c2ccccc2)nc1C.Cc1nnsc1C.Cc1sccc1Cl.

What is the InChIKey of 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?

The InChIKey is FDYAGMCJTNVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C8H8F3N.C6H7F3N2.C6H5F3N2.C6H10N2.C6H9N.C6H8O.C5H5ClS.C5H6N2.C4H6N2S.C4H5NO/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-5-6(2)12-4-3-7(5)8(9,10)11;1-4-3-11(2)10-5(4)6(7,8)9;1-4-2-10-3-11-5(4)6(7,8)9;1-5-6(2)8(3)4-7-5;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4-5(6)2-3-7-4;1-5-4-6-2-3-7-5;1-3-4(2)7-6-5-3;1-4-2-3-5-6-4/h3-7H,1-2H3;3-4H,1-2H3;3H,1-2H3;2-3H,1H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3;1-2H3;2-3H,1H3.

What are the key properties of 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole?

3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole has a molecular weight of 1400.04 g/mol, XLogP of 18.05, 1 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole is sourced from PubChem (CID 158002845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).