[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate

C120H134BrN9O20S8 — CID 167626383

About [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate

[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate (PubChem CID 167626383) has the molecular formula C120H134BrN9O20S8 and a molecular weight of 2358.87 g/mol. Its IUPAC name is [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate.

Molecular Properties

• Compound Name: [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate
• PubChem CID: 167626383
• Molecular Formula: C120H134BrN9O20S8
• Molecular Weight: 2358.87 g/mol
• Exact Mass: 2355.67
• IUPAC Name: [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate
• SMILES: CCC(=O)OCc1sc(-c2ccc(Br)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(C)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(C)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(OC(C)C)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(OC)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc([N+](=O)[O-])cc2)nc1C.CCC(=O)OCc1sc(-c2cccc(C)c2)nc1C.CCC(=O)OCc1sc(-c2ccccc2C)nc1C
• InChI: InChI=1S/C17H21NO3S.C15H17NO3S.4C15H17NO2S.C14H14BrNO2S.C14H14N2O4S/c1-5-16(19)20-10-15-12(4)18-17(22-15)13-6-8-14(9-7-13)21-11(2)3;1-4-14(17)19-9-13-10(2)16-15(20-13)11-5-7-12(18-3)8-6-11;2*1-4-14(17)18-9-13-11(3)16-15(19-13)12-7-5-10(2)6-8-12;1-4-14(17)18-9-13-11(3)16-15(19-13)12-7-5-6-10(2)8-12;1-4-14(17)18-9-13-11(3)16-15(19-13)12-8-6-5-7-10(12)2;1-3-13(17)18-8-12-9(2)16-14(19-12)10-4-6-11(15)7-5-10;1-3-13(17)20-8-12-9(2)15-14(21-12)10-4-6-11(7-5-10)16(18)19/h6-9,11H,5,10H2,1-4H3;5-8H,4,9H2,1-3H3;4*5-8H,4,9H2,1-3H3;4-7H,3,8H2,1-2H3;4-7H,3,8H2,1-2H3
• InChIKey: NDUYZDKJXFNLLT-UHFFFAOYSA-N
• XLogP: 31.27
• TPSA: 375.12 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.87
LogP ≤ 5	31.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate?

The IUPAC name of [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate (CID 167626383) is [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate.

What is the SMILES notation for [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate?

The canonical SMILES for [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate is CCC(=O)OCc1sc(-c2ccc(Br)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(C)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(C)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(OC(C)C)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc(OC)cc2)nc1C.CCC(=O)OCc1sc(-c2ccc([N+](=O)[O-])cc2)nc1C.CCC(=O)OCc1sc(-c2cccc(C)c2)nc1C.CCC(=O)OCc1sc(-c2ccccc2C)nc1C.

What is the InChIKey of [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate?

The InChIKey is NDUYZDKJXFNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S.C15H17NO3S.4C15H17NO2S.C14H14BrNO2S.C14H14N2O4S/c1-5-16(19)20-10-15-12(4)18-17(22-15)13-6-8-14(9-7-13)21-11(2)3;1-4-14(17)19-9-13-10(2)16-15(20-13)11-5-7-12(18-3)8-6-11;2*1-4-14(17)18-9-13-11(3)16-15(19-13)12-7-5-10(2)6-8-12;1-4-14(17)18-9-13-11(3)16-15(19-13)12-7-5-6-10(2)8-12;1-4-14(17)18-9-13-11(3)16-15(19-13)12-8-6-5-7-10(12)2;1-3-13(17)18-8-12-9(2)16-14(19-12)10-4-6-11(15)7-5-10;1-3-13(17)20-8-12-9(2)15-14(21-12)10-4-6-11(7-5-10)16(18)19/h6-9,11H,5,10H2,1-4H3;5-8H,4,9H2,1-3H3;4*5-8H,4,9H2,1-3H3;4-7H,3,8H2,1-2H3;4-7H,3,8H2,1-2H3.

What are the key properties of [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate?

[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate has a molecular weight of 2358.87 g/mol, XLogP of 31.27, 36 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate is sourced from PubChem (CID 167626383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).