2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

C61H58N12S3 — CID 158023071

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (PubChem CID 158023071) has the molecular formula C61H58N12S3 and a molecular weight of 1055.42 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
• PubChem CID: 158023071
• Molecular Formula: C61H58N12S3
• Molecular Weight: 1055.42 g/mol
• Exact Mass: 1054.41
• IUPAC Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
• SMILES: CN1CC=C(c2nc3ccc(-c4ccc5nn(C)cc5c4)cc3s2)CC1.Cn1cc2cc(-c3ccc4nc(C5=CCNCC5)sc4c3)ccc2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)ccc2n1
• InChI: InChI=1S/C21H20N4S.C20H20N4S.C20H18N4S/c1-24-9-7-14(8-10-24)21-22-19-6-4-16(12-20(19)26-21)15-3-5-18-17(11-15)13-25(2)23-18;2*1-24-12-16-10-14(2-4-17(16)23-24)15-3-5-18-19(11-15)25-20(22-18)13-6-8-21-9-7-13/h3-7,11-13H,8-10H2,1-2H3;2-5,10-13,21H,6-9H2,1H3;2-6,10-12,21H,7-9H2,1H3
• InChIKey: FGHAWJNOEBSEDA-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 119.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.42
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (CID 158023071) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is CN1CC=C(c2nc3ccc(-c4ccc5nn(C)cc5c4)cc3s2)CC1.Cn1cc2cc(-c3ccc4nc(C5=CCNCC5)sc4c3)ccc2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)ccc2n1.

What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

The InChIKey is FGHAWJNOEBSEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S.C20H20N4S.C20H18N4S/c1-24-9-7-14(8-10-24)21-22-19-6-4-16(12-20(19)26-21)15-3-5-18-17(11-15)13-25(2)23-18;2*1-24-12-16-10-14(2-4-17(16)23-24)15-3-5-18-19(11-15)25-20(22-18)13-6-8-21-9-7-13/h3-7,11-13H,8-10H2,1-2H3;2-5,10-13,21H,6-9H2,1H3;2-6,10-12,21H,7-9H2,1H3.

What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole has a molecular weight of 1055.42 g/mol, XLogP of 13.11, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 158023071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).