2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde

C118H128BBrN6O21S6 — CID 157413781

About 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde

2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde (PubChem CID 157413781) has the molecular formula C118H128BBrN6O21S6 and a molecular weight of 2249.46 g/mol. Its IUPAC name is 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde
• PubChem CID: 157413781
• Molecular Formula: C118H128BBrN6O21S6
• Molecular Weight: 2249.46 g/mol
• Exact Mass: 2246.67
• IUPAC Name: 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde
• SMILES: CC(C)(C)OC(C(=O)O)c1nc(-c2ccccc2)sc1-c1ccc2c(c1)CCCO2.CC1(C)OB(c2ccc3c(c2)CCCO3)OC1(C)C.COC(=O)C(O)c1csc(-c2ccccc2)n1.COC(=O)C(OC(C)(C)C)c1csc(-c2ccccc2)n1.COC(=O)C(OC(C)(C)C)c1nc(-c2ccccc2)sc1-c1ccc2c(c1)CCCO2.COC(=O)C(OC(C)(C)C)c1nc(-c2ccccc2)sc1Br.O=Cc1csc(-c2ccccc2)n1
• InChI: InChI=1S/C25H27NO4S.C24H25NO4S.C16H18BrNO3S.C16H19NO3S.C15H21BO3.C12H11NO3S.C10H7NOS/c1-25(2,3)30-21(24(27)28-4)20-22(31-23(26-20)16-9-6-5-7-10-16)18-12-13-19-17(15-18)11-8-14-29-19;1-24(2,3)29-20(23(26)27)19-21(30-22(25-19)15-8-5-4-6-9-15)17-11-12-18-16(14-17)10-7-13-28-18;1-16(2,3)21-12(15(19)20-4)11-13(17)22-14(18-11)10-8-6-5-7-9-10;1-16(2,3)20-13(15(18)19-4)12-10-21-14(17-12)11-8-6-5-7-9-11;1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13;1-16-12(15)10(14)9-7-17-11(13-9)8-5-3-2-4-6-8;12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h5-7,9-10,12-13,15,21H,8,11,14H2,1-4H3;4-6,8-9,11-12,14,20H,7,10,13H2,1-3H3,(H,26,27);5-9,12H,1-4H3;5-10,13H,1-4H3;7-8,10H,5-6,9H2,1-4H3;2-7,10,14H,1H3;1-7H
• InChIKey: BOPDWCFWZGYNIJ-UHFFFAOYSA-N
• XLogP: 26.97
• TPSA: 340.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.46
LogP ≤ 5	26.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde?

The IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde (CID 157413781) is 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde.

What is the SMILES notation for 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde?

The canonical SMILES for 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde is CC(C)(C)OC(C(=O)O)c1nc(-c2ccccc2)sc1-c1ccc2c(c1)CCCO2.CC1(C)OB(c2ccc3c(c2)CCCO3)OC1(C)C.COC(=O)C(O)c1csc(-c2ccccc2)n1.COC(=O)C(OC(C)(C)C)c1csc(-c2ccccc2)n1.COC(=O)C(OC(C)(C)C)c1nc(-c2ccccc2)sc1-c1ccc2c(c1)CCCO2.COC(=O)C(OC(C)(C)C)c1nc(-c2ccccc2)sc1Br.O=Cc1csc(-c2ccccc2)n1.

What is the InChIKey of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde?

The InChIKey is BOPDWCFWZGYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4S.C24H25NO4S.C16H18BrNO3S.C16H19NO3S.C15H21BO3.C12H11NO3S.C10H7NOS/c1-25(2,3)30-21(24(27)28-4)20-22(31-23(26-20)16-9-6-5-7-10-16)18-12-13-19-17(15-18)11-8-14-29-19;1-24(2,3)29-20(23(26)27)19-21(30-22(25-19)15-8-5-4-6-9-15)17-11-12-18-16(14-17)10-7-13-28-18;1-16(2,3)21-12(15(19)20-4)11-13(17)22-14(18-11)10-8-6-5-7-9-10;1-16(2,3)20-13(15(18)19-4)12-10-21-14(17-12)11-8-6-5-7-9-11;1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13;1-16-12(15)10(14)9-7-17-11(13-9)8-5-3-2-4-6-8;12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h5-7,9-10,12-13,15,21H,8,11,14H2,1-4H3;4-6,8-9,11-12,14,20H,7,10,13H2,1-3H3,(H,26,27);5-9,12H,1-4H3;5-10,13H,1-4H3;7-8,10H,5-6,9H2,1-4H3;2-7,10,14H,1H3;1-7H.

What are the key properties of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde?

2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 2249.46 g/mol, XLogP of 26.97, 24 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate;methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1,3-thiazol-4-yl)acetate;2-phenyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 157413781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).