6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole

C94H102F2N16S3 — CID 160675163

About 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole

6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole (PubChem CID 160675163) has the molecular formula C94H102F2N16S3 and a molecular weight of 1590.16 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole.

Molecular Properties

• Compound Name: 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole
• PubChem CID: 160675163
• Molecular Formula: C94H102F2N16S3
• Molecular Weight: 1590.16 g/mol
• Exact Mass: 1588.76
• IUPAC Name: 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole
• SMILES: CCc1cc2ccccn2n1.CCc1ccc2[nH]ncc2c1.CCc1ccc2cncn2c1.CCc1nc2cc(C)ccc2s1.CCc1nc2ccc(F)cc2[nH]1.Cc1ccc2c(cnn2C)c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2nc[nH]c2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.NCC1=Cc2cc(F)ccc2C1
• InChI: InChI=1S/C12H15NS.C10H10FN.C10H11NS.C9H9FN2.4C9H10N2.C9H9NS.C8H8N2/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;11-10-2-1-8-3-7(6-12)4-9(8)5-10;1-3-10-11-8-6-7(2)4-5-9(8)12-10;1-2-9-11-7-4-3-6(10)5-8(7)12-9;1-7-3-4-9-8(5-7)6-10-11(9)2;1-2-8-3-4-9-5-10-7-11(9)6-8;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-8-7-9-5-3-4-6-11(9)10-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-7-8(4-6)10-5-9-7/h5-7H,1-4H3;1-2,4-5H,3,6,12H2;4-6H,3H2,1-2H3;3-5H,2H2,1H3,(H,11,12);3-6H,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);3-7H,2H2,1H3;3-5H,1-2H3;2-5H,1H3,(H,9,10)
• InChIKey: RNKZPEDFEQBWGP-UHFFFAOYSA-N
• XLogP: 23.64
• TPSA: 203.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.16
LogP ≤ 5	23.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole?

The IUPAC name of 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole (CID 160675163) is 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole.

What is the SMILES notation for 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole?

The canonical SMILES for 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole is CCc1cc2ccccn2n1.CCc1ccc2[nH]ncc2c1.CCc1ccc2cncn2c1.CCc1nc2cc(C)ccc2s1.CCc1nc2ccc(F)cc2[nH]1.Cc1ccc2c(cnn2C)c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2nc[nH]c2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.NCC1=Cc2cc(F)ccc2C1.

What is the InChIKey of 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole?

The InChIKey is RNKZPEDFEQBWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS.C10H10FN.C10H11NS.C9H9FN2.4C9H10N2.C9H9NS.C8H8N2/c1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;11-10-2-1-8-3-7(6-12)4-9(8)5-10;1-3-10-11-8-6-7(2)4-5-9(8)12-10;1-2-9-11-7-4-3-6(10)5-8(7)12-9;1-7-3-4-9-8(5-7)6-10-11(9)2;1-2-8-3-4-9-5-10-7-11(9)6-8;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-8-7-9-5-3-4-6-11(9)10-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-7-8(4-6)10-5-9-7/h5-7H,1-4H3;1-2,4-5H,3,6,12H2;4-6H,3H2,1-2H3;3-5H,2H2,1H3,(H,11,12);3-6H,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);3-7H,2H2,1H3;3-5H,1-2H3;2-5H,1H3,(H,9,10).

What are the key properties of 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole?

6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole has a molecular weight of 1590.16 g/mol, XLogP of 23.64, 6 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-methyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;1,5-dimethylindazole;2-ethyl-6-fluoro-1H-benzimidazole;6-ethylimidazo[1,5-a]pyridine;5-ethyl-1H-indazole;2-ethyl-5-methyl-1,3-benzothiazole;2-ethylpyrazolo[1,5-a]pyridine;(5-fluoro-1H-inden-2-yl)methanamine;6-methyl-1H-benzimidazole is sourced from PubChem (CID 160675163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).