5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene

C69H81F6N5S6 — CID 167699379

About 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene

5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene (PubChem CID 167699379) has the molecular formula C69H81F6N5S6 and a molecular weight of 1286.83 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene.

Molecular Properties

• Compound Name: 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene
• PubChem CID: 167699379
• Molecular Formula: C69H81F6N5S6
• Molecular Weight: 1286.83 g/mol
• Exact Mass: 1285.47
• IUPAC Name: 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene
• SMILES: Cc1cc2ccccc2s1.Cc1ccc(CC(C)(C)C(F)(F)F)s1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)N=CC2.Cc1cnc(C)s1.Cc1nc2ccccc2s1.Cc1ncc(CC(C)(C)C(F)(F)F)s1.Cc1ncc(CC(C)(C)C)s1
• InChI: InChI=1S/C10H13F3S.C10H10.C9H12F3NS.C9H15NS.C9H9N.C9H8S.C8H7NS.C5H7NS/c1-7-4-5-8(14-7)6-9(2,3)10(11,12)13;1-8-5-6-9-3-2-4-10(9)7-8;1-6-13-5-7(14-6)4-8(2,3)9(10,11)12;1-7-10-6-8(11-7)5-9(2,3)4;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6;1-4-3-6-5(2)7-4/h4-5H,6H2,1-3H3;2,4-7H,3H2,1H3;5H,4H2,1-3H3;6H,5H2,1-4H3;2-3,5-6H,4H2,1H3;2-6H,1H3;2-5H,1H3;3H,1-2H3
• InChIKey: YDLGMRFGKBSAKZ-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 63.92 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.83
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene?

The IUPAC name of 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene (CID 167699379) is 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene.

What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene?

The canonical SMILES for 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene is Cc1cc2ccccc2s1.Cc1ccc(CC(C)(C)C(F)(F)F)s1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)N=CC2.Cc1cnc(C)s1.Cc1nc2ccccc2s1.Cc1ncc(CC(C)(C)C(F)(F)F)s1.Cc1ncc(CC(C)(C)C)s1.

What is the InChIKey of 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene?

The InChIKey is YDLGMRFGKBSAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3S.C10H10.C9H12F3NS.C9H15NS.C9H9N.C9H8S.C8H7NS.C5H7NS/c1-7-4-5-8(14-7)6-9(2,3)10(11,12)13;1-8-5-6-9-3-2-4-10(9)7-8;1-6-13-5-7(14-6)4-8(2,3)9(10,11)12;1-7-10-6-8(11-7)5-9(2,3)4;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6;1-4-3-6-5(2)7-4/h4-5H,6H2,1-3H3;2,4-7H,3H2,1H3;5H,4H2,1-3H3;6H,5H2,1-4H3;2-3,5-6H,4H2,1H3;2-6H,1H3;2-5H,1H3;3H,1-2H3.

What are the key properties of 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene?

5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene has a molecular weight of 1286.83 g/mol, XLogP of 23.20, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 167699379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).