N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane

C46H49BrN8O2S4 — CID 157120798

About N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane

N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane (PubChem CID 157120798) has the molecular formula C46H49BrN8O2S4 and a molecular weight of 954.12 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane
• PubChem CID: 157120798
• Molecular Formula: C46H49BrN8O2S4
• Molecular Weight: 954.12 g/mol
• Exact Mass: 952.20
• IUPAC Name: N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane
• SMILES: CC1NCCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.COCCBr.COCCN1CCC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C
• InChI: InChI=1S/C23H24N4OS2.C20H18N4S2.C3H7BrO/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21;1-12-14(3-2-7-21-12)19-10-15-16(6-8-22-20(15)26-19)24-13-4-5-18-17(9-13)23-11-25-18;1-5-3-2-4/h4-8,12-15H,3,9-11H2,1-2H3,(H,24,26);3-6,8-12,21H,2,7H2,1H3,(H,22,24);2-3H2,1H3
• InChIKey: AHYGVQTYLKWEHB-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 109.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	954.12
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane?

The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane (CID 157120798) is N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane.

What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane?

The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane is CC1NCCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1.COCCBr.COCCN1CCC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C.

What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane?

The InChIKey is AHYGVQTYLKWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS2.C20H18N4S2.C3H7BrO/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21;1-12-14(3-2-7-21-12)19-10-15-16(6-8-22-20(15)26-19)24-13-4-5-18-17(9-13)23-11-25-18;1-5-3-2-4/h4-8,12-15H,3,9-11H2,1-2H3,(H,24,26);3-6,8-12,21H,2,7H2,1H3,(H,22,24);2-3H2,1H3.

What are the key properties of N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane?

N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane has a molecular weight of 954.12 g/mol, XLogP of 12.22, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-5-yl)-2-[1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridin-5-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-amine;1-bromo-2-methoxyethane is sourced from PubChem (CID 157120798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).