2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol

C70H109BBrCl2F2N9O16S5 — CID 159751390

About 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol

2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol (PubChem CID 159751390) has the molecular formula C70H109BBrCl2F2N9O16S5 and a molecular weight of 1692.64 g/mol. Its IUPAC name is 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol.

Molecular Properties

• Compound Name: 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol
• PubChem CID: 159751390
• Molecular Formula: C70H109BBrCl2F2N9O16S5
• Molecular Weight: 1692.64 g/mol
• Exact Mass: 1689.52
• IUPAC Name: 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol
• SMILES: CC1(C)OB(c2ccc(N)c(S(C)(=O)=O)c2)OC1(C)C.COCCCCC=O.COCCCCCO.COCCCc1cnc(-c2ccc(N)c(S(C)(=O)=O)c2)s1.COCCCc1cnc(Br)s1.COCCCc1cnc(N)s1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.OCCCCCO
• InChI: InChI=1S/C14H18N2O3S2.C13H20BNO4S.C12H11Cl2F2N3O.C7H10BrNOS.C7H12N2OS.C6H14O2.C6H12O2.C5H12O2/c1-19-7-3-4-11-9-16-14(20-11)10-5-6-12(15)13(8-10)21(2,17)18;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15)11(8-9)20(5,16)17;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;2*1-10-4-2-3-6-5-9-7(8)11-6;2*1-8-6-4-2-3-5-7;6-4-2-1-3-5-7/h5-6,8-9H,3-4,7,15H2,1-2H3;6-8H,15H2,1-5H3;5,8,10H,1-4H2;5H,2-4H2,1H3;5H,2-4H2,1H3,(H2,8,9);7H,2-6H2,1H3;5H,2-4,6H2,1H3;6-7H,1-5H2
• InChIKey: NDRSNZIENKBIFS-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 367.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1692.64
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol?

The IUPAC name of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol (CID 159751390) is 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol.

What is the SMILES notation for 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol?

The canonical SMILES for 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol is CC1(C)OB(c2ccc(N)c(S(C)(=O)=O)c2)OC1(C)C.COCCCCC=O.COCCCCCO.COCCCc1cnc(-c2ccc(N)c(S(C)(=O)=O)c2)s1.COCCCc1cnc(Br)s1.COCCCc1cnc(N)s1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.OCCCCCO.

What is the InChIKey of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol?

The InChIKey is NDRSNZIENKBIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2.C13H20BNO4S.C12H11Cl2F2N3O.C7H10BrNOS.C7H12N2OS.C6H14O2.C6H12O2.C5H12O2/c1-19-7-3-4-11-9-16-14(20-11)10-5-6-12(15)13(8-10)21(2,17)18;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15)11(8-9)20(5,16)17;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;2*1-10-4-2-3-6-5-9-7(8)11-6;2*1-8-6-4-2-3-5-7;6-4-2-1-3-5-7/h5-6,8-9H,3-4,7,15H2,1-2H3;6-8H,15H2,1-5H3;5,8,10H,1-4H2;5H,2-4H2,1H3;5H,2-4H2,1H3,(H2,8,9);7H,2-6H2,1H3;5H,2-4,6H2,1H3;6-7H,1-5H2.

What are the key properties of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol?

2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol has a molecular weight of 1692.64 g/mol, XLogP of 13.45, 32 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(3-methoxypropyl)-1,3-thiazole;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-methoxypentanal;5-methoxypentan-1-ol;5-(3-methoxypropyl)-1,3-thiazol-2-amine;4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;pentane-1,5-diol is sourced from PubChem (CID 159751390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).