N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride

C76H87Cl5N9O11PS4 — CID 161183219

About N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride

N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride (PubChem CID 161183219) has the molecular formula C76H87Cl5N9O11PS4 and a molecular weight of 1639.09 g/mol. Its IUPAC name is N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride.

Molecular Properties

• Compound Name: N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride
• PubChem CID: 161183219
• Molecular Formula: C76H87Cl5N9O11PS4
• Molecular Weight: 1639.09 g/mol
• Exact Mass: 1635.36
• IUPAC Name: N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride
• SMILES: CC(C)c1csc(C(=O)Cl)n1.COc1ccc(C(C)=O)c(N)c1C.COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1C.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1cccc(N)c1C.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C17H17ClN2OS.C17H20N2O3S.C17H18N2O2S.C10H13NO2.C8H11NO.C7H8ClNOS.Cl3OP/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13;1-9(2)13-8-23-17(18-13)16(21)19-15-10(3)14(22-5)7-6-12(15)11(4)20;1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12;1-6-9(13-3)5-4-8(7(2)12)10(6)11;1-6-7(9)4-3-5-8(6)10-2;1-4(2)5-3-11-7(9-5)6(8)10;1-5(2,3)4/h5-9H,1-4H3;6-9H,1-5H3,(H,19,21);5-9H,1-4H3,(H,18,20);4-5H,11H2,1-3H3;3-5H,9H2,1-2H3;3-4H,1-2H3
• InChIKey: USTBNAIJCRUDEK-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 292.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1639.09
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride?

The IUPAC name of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride (CID 161183219) is N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride.

What is the SMILES notation for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride?

The canonical SMILES for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride is CC(C)c1csc(C(=O)Cl)n1.COc1ccc(C(C)=O)c(N)c1C.COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1C.COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1cccc(N)c1C.O=P(Cl)(Cl)Cl.

What is the InChIKey of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride?

The InChIKey is USTBNAIJCRUDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS.C17H20N2O3S.C17H18N2O2S.C10H13NO2.C8H11NO.C7H8ClNOS.Cl3OP/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13;1-9(2)13-8-23-17(18-13)16(21)19-15-10(3)14(22-5)7-6-12(15)11(4)20;1-9(2)13-8-22-17(19-13)12-7-14(20)11-5-6-15(21-4)10(3)16(11)18-12;1-6-9(13-3)5-4-8(7(2)12)10(6)11;1-6-7(9)4-3-5-8(6)10-2;1-4(2)5-3-11-7(9-5)6(8)10;1-5(2,3)4/h5-9H,1-4H3;6-9H,1-5H3,(H,19,21);5-9H,1-4H3,(H,18,20);4-5H,11H2,1-3H3;3-5H,9H2,1-2H3;3-4H,1-2H3;.

What are the key properties of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride?

N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride has a molecular weight of 1639.09 g/mol, XLogP of 22.41, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-4-methoxy-3-methylphenyl)ethanone;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;3-methoxy-2-methylaniline;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;phosphoryl trichloride;4-propan-2-yl-1,3-thiazole-2-carbonyl chloride is sourced from PubChem (CID 161183219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).