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

C61H58N12S3 — CID 159684265

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

6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (PubChem CID 159684265) has the molecular formula C61H58N12S3 and a molecular weight of 1055.42 g/mol. Its IUPAC name is 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
• PubChem CID: 159684265
• Molecular Formula: C61H58N12S3
• Molecular Weight: 1055.42 g/mol
• Exact Mass: 1054.41
• IUPAC Name: 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
• SMILES: CN1CC=C(c2ccc3nc(-c4ccc5nn(C)cc5c4)sc3c2)CC1.Cn1cc2cc(-c3nc4ccc(C5=CCNCC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ccc(C5CCNCC5)cc4s3)ccc2n1
• InChI: InChI=1S/C21H20N4S.C20H20N4S.C20H18N4S/c1-24-9-7-14(8-10-24)15-3-6-19-20(12-15)26-21(22-19)16-4-5-18-17(11-16)13-25(2)23-18;2*1-24-12-16-10-15(3-4-17(16)23-24)20-22-18-5-2-14(11-19(18)25-20)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: MVOWVXQNDYLRCR-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 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

The IUPAC name of 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (CID 159684265) is 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

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

The canonical SMILES for 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is CN1CC=C(c2ccc3nc(-c4ccc5nn(C)cc5c4)sc3c2)CC1.Cn1cc2cc(-c3nc4ccc(C5=CCNCC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ccc(C5CCNCC5)cc4s3)ccc2n1.

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

The InChIKey is MVOWVXQNDYLRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S.C20H20N4S.C20H18N4S/c1-24-9-7-14(8-10-24)15-3-6-19-20(12-15)26-21(22-19)16-4-5-18-17(11-16)13-25(2)23-18;2*1-24-12-16-10-15(3-4-17(16)23-24)20-22-18-5-2-14(11-19(18)25-20)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 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?

6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(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 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylindazol-5-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 159684265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).