4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole

C126H162N36O2S2 — CID 157303883

About 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole

4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole (PubChem CID 157303883) has the molecular formula C126H162N36O2S2 and a molecular weight of 2277.07 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole
• PubChem CID: 157303883
• Molecular Formula: C126H162N36O2S2
• Molecular Weight: 2277.07 g/mol
• Exact Mass: 2275.31
• IUPAC Name: 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole
• SMILES: CC(C)(C)c1cccc2sc(-c3nc4c(C(C)(C)C)cccc4s3)nc12.CC(C)c1nc(C(C)C)n(Cn2nc(C(C)C)nc2C(C)C)n1.Cc1cc(C)n(CCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cn2nc(C)cc2C)n1.Cc1cc(C)n(Cn2nc(C)cc2C)n1.Cc1cccc(Cc2cccc(C)n2)n1.Cc1cccc(Oc2cccc(C)n2)n1.Cc1nc(C)n(Cn2nc(C)nc2C)n1.O=C(c1ccccn1)c1ccccn1.c1cnn(Cn2cccn2)c1
• InChI: InChI=1S/C22H24N2S2.C17H30N6.C13H20N4.C13H14N2.C12H12N2O.2C11H16N4.C11H8N2O.C9H14N6.C7H8N4/c1-21(2,3)13-9-7-11-15-17(13)23-19(25-15)20-24-18-14(22(4,5)6)10-8-12-16(18)26-20;1-10(2)14-18-16(12(5)6)22(20-14)9-23-17(13(7)8)19-15(21-23)11(3)4;1-10-8-12(3)16(14-10)6-5-7-17-13(4)9-11(2)15-17;1-10-5-3-7-12(14-10)9-13-8-4-6-11(2)15-13;1-9-5-3-7-11(13-9)15-12-8-4-6-10(2)14-12;2*1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-6-10-8(3)14(12-6)5-15-9(4)11-7(2)13-15;1-3-8-10(5-1)7-11-6-2-4-9-11/h7-12H,1-6H3;10-13H,9H2,1-8H3;8-9H,5-7H2,1-4H3;3-8H,9H2,1-2H3;3-8H,1-2H3;2*5-6H,7H2,1-4H3;1-8H;5H2,1-4H3;1-6H,7H2
• InChIKey: BCFJOPUOWLOJJD-UHFFFAOYSA-N
• XLogP: 25.55
• TPSA: 394.82 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2277.07
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole?

The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole (CID 157303883) is 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole.

What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole?

The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole is CC(C)(C)c1cccc2sc(-c3nc4c(C(C)(C)C)cccc4s3)nc12.CC(C)c1nc(C(C)C)n(Cn2nc(C(C)C)nc2C(C)C)n1.Cc1cc(C)n(CCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cn2nc(C)cc2C)n1.Cc1cc(C)n(Cn2nc(C)cc2C)n1.Cc1cccc(Cc2cccc(C)n2)n1.Cc1cccc(Oc2cccc(C)n2)n1.Cc1nc(C)n(Cn2nc(C)nc2C)n1.O=C(c1ccccn1)c1ccccn1.c1cnn(Cn2cccn2)c1.

What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole?

The InChIKey is BCFJOPUOWLOJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2S2.C17H30N6.C13H20N4.C13H14N2.C12H12N2O.2C11H16N4.C11H8N2O.C9H14N6.C7H8N4/c1-21(2,3)13-9-7-11-15-17(13)23-19(25-15)20-24-18-14(22(4,5)6)10-8-12-16(18)26-20;1-10(2)14-18-16(12(5)6)22(20-14)9-23-17(13(7)8)19-15(21-23)11(3)4;1-10-8-12(3)16(14-10)6-5-7-17-13(4)9-11(2)15-17;1-10-5-3-7-12(14-10)9-13-8-4-6-11(2)15-13;1-9-5-3-7-11(13-9)15-12-8-4-6-10(2)14-12;2*1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-6-10-8(3)14(12-6)5-15-9(4)11-7(2)13-15;1-3-8-10(5-1)7-11-6-2-4-9-11/h7-12H,1-6H3;10-13H,9H2,1-8H3;8-9H,5-7H2,1-4H3;3-8H,9H2,1-2H3;3-8H,1-2H3;2*5-6H,7H2,1-4H3;1-8H;5H2,1-4H3;1-6H,7H2.

What are the key properties of 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole?

4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole has a molecular weight of 2277.07 g/mol, XLogP of 25.55, 25 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(4-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole;bis(1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole;1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole;1-[[3,5-di(propan-2-yl)-1,2,4-triazol-1-yl]methyl]-3,5-di(propan-2-yl)-1,2,4-triazole;dipyridin-2-ylmethanone;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;1-(pyrazol-1-ylmethyl)pyrazole is sourced from PubChem (CID 157303883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).