2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole

C56H66Br2Cl3N9O2S6 — CID 162149959

About 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole

2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole (PubChem CID 162149959) has the molecular formula C56H66Br2Cl3N9O2S6 and a molecular weight of 1355.77 g/mol. Its IUPAC name is 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole
• PubChem CID: 162149959
• Molecular Formula: C56H66Br2Cl3N9O2S6
• Molecular Weight: 1355.77 g/mol
• Exact Mass: 1351.11
• IUPAC Name: 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole
• SMILES: Cc1ccc(Br)o1.Cc1ccc(Br)s1.Cc1ccc(Cl)s1.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1ccsc1.Cc1cnc(Cl)s1.Cc1csc(Cl)c1.Cn1cccn1.Cn1ccnc1.Cn1cncn1
• InChI: InChI=1S/C6H7N.C5H5BrO.C5H5BrS.2C5H5ClS.C5H6O.2C5H6S.C4H4ClNS.2C4H6N2.C3H5N3/c1-6-4-2-3-5-7-6;2*1-4-2-3-5(6)7-4;1-4-2-5(6)7-3-4;1-4-2-3-5(6)7-4;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6/h2-5H,1H3;4*2-3H,1H3;3*2-4H,1H3;2H,1H3;2*2-4H,1H3;2-3H,1H3
• InChIKey: ZLBMOOQTOXRYTL-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 118.41 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1355.77
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

The IUPAC name of 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole (CID 162149959) is 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole.

What is the SMILES notation for 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

The canonical SMILES for 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole is Cc1ccc(Br)o1.Cc1ccc(Br)s1.Cc1ccc(Cl)s1.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1ccsc1.Cc1cnc(Cl)s1.Cc1csc(Cl)c1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.

What is the InChIKey of 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

The InChIKey is ZLBMOOQTOXRYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H5BrO.C5H5BrS.2C5H5ClS.C5H6O.2C5H6S.C4H4ClNS.2C4H6N2.C3H5N3/c1-6-4-2-3-5-7-6;2*1-4-2-3-5(6)7-4;1-4-2-5(6)7-3-4;1-4-2-3-5(6)7-4;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6/h2-5H,1H3;4*2-3H,1H3;3*2-4H,1H3;2H,1H3;2*2-4H,1H3;2-3H,1H3.

What are the key properties of 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole?

2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole has a molecular weight of 1355.77 g/mol, XLogP of 20.44, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-methylfuran;2-bromo-5-methylthiophene;2-chloro-5-methyl-1,3-thiazole;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;2-methylthiophene;3-methylthiophene;1-methyl-1,2,4-triazole is sourced from PubChem (CID 162149959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).