4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline

C178H218Cl3F5N38O3S6 — CID 172942159

About 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline

4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline (PubChem CID 172942159) has the molecular formula C178H218Cl3F5N38O3S6 and a molecular weight of 3331.72 g/mol. Its IUPAC name is 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline.

Molecular Properties

• Compound Name: 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline
• PubChem CID: 172942159
• Molecular Formula: C178H218Cl3F5N38O3S6
• Molecular Weight: 3331.72 g/mol
• Exact Mass: 3327.54
• IUPAC Name: 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline
• SMILES: COc1ccc(-c2sc(C)nc2C)cn1.COc1ccc(N)c(C)c1.COc1ccc(N)c(C)c1F.Cc1cc(C)c(N)cc1C.Cc1cc(Cl)ccc1N.Cc1ccc(-c2ccccc2C)cc1.Cc1ccc(C)c(N)c1.Cc1ccc(N)c(C)c1.Cc1ccc(N)c(C)c1F.Cc1ccc(N)c(C)n1.Cc1ccccc1N.Cc1nc(C)c(-c2cc(F)cc(F)c2)s1.Cc1nc(C)c(-c2ccc(Cl)cc2)s1.Cc1nc(C)c(-c2ccc(F)cc2)s1.Cc1nc(C)c(-c2cccc(Cl)c2)s1.Cc1nc(C)c(-c2ccccc2)s1.[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N\Nc1ccc(C)cc1C
• InChI: InChI=1S/C14H14.2C11H10ClNS.C11H9F2NS.C11H10FNS.C11H12N2OS.C11H11NS.C10H13N3.C9H13N.C8H10FNO.C8H10FN.C8H11NO.2C8H11N.C7H8ClN.C7H10N2.C7H9N.9C2H4N2/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9;1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9;1-6-11(15-7(2)14-6)8-3-9(12)5-10(13)4-8;1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9;1-7-11(15-8(2)13-7)9-4-5-10(14-3)12-6-9;1-8-11(13-9(2)12-8)10-6-4-3-5-7-10;1-8-3-4-10(9(2)7-8)13-12-6-5-11;1-6-4-8(3)9(10)5-7(6)2;1-5-6(10)3-4-7(11-2)8(5)9;1-5-3-4-7(10)6(2)8(5)9;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-5-4-6(8)2-3-7(5)9;1-5-3-4-7(8)6(2)9-5;1-6-4-2-3-5-7(6)8;9*3-1-2-4/h3-10H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-7,11,13H,1-2H3;4-5H,10H2,1-3H3;3-4H,10H2,1-2H3;3-4H,10H2,1-2H3;3-5H,9H2,1-2H3;2*3-5H,9H2,1-2H3;2-4H,9H2,1H3;3-4H,8H2,1-2H3;2-5H,8H2,1H3;9*1-4H/b;;;;;;;11-5+,12-6-;;;;;;;;;;9*3-1+,4-2+
• InChIKey: IGFLYDGHXCZNIB-FZMSHZONSA-N
• XLogP: 46.97
• TPSA: 842.53 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 47
• Rotatable Bonds: 22
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3331.72
LogP ≤ 5	46.97
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline?

The IUPAC name of 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline (CID 172942159) is 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline.

What is the SMILES notation for 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline?

The canonical SMILES for 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline is COc1ccc(-c2sc(C)nc2C)cn1.COc1ccc(N)c(C)c1.COc1ccc(N)c(C)c1F.Cc1cc(C)c(N)cc1C.Cc1cc(Cl)ccc1N.Cc1ccc(-c2ccccc2C)cc1.Cc1ccc(C)c(N)c1.Cc1ccc(N)c(C)c1.Cc1ccc(N)c(C)c1F.Cc1ccc(N)c(C)n1.Cc1ccccc1N.Cc1nc(C)c(-c2cc(F)cc(F)c2)s1.Cc1nc(C)c(-c2ccc(Cl)cc2)s1.Cc1nc(C)c(-c2ccc(F)cc2)s1.Cc1nc(C)c(-c2cccc(Cl)c2)s1.Cc1nc(C)c(-c2ccccc2)s1.[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].[H]/N=C/C=N\Nc1ccc(C)cc1C.

What is the InChIKey of 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline?

The InChIKey is IGFLYDGHXCZNIB-FZMSHZONSA-N. The full InChI is InChI=1S/C14H14.2C11H10ClNS.C11H9F2NS.C11H10FNS.C11H12N2OS.C11H11NS.C10H13N3.C9H13N.C8H10FNO.C8H10FN.C8H11NO.2C8H11N.C7H8ClN.C7H10N2.C7H9N.9C2H4N2/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9;1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9;1-6-11(15-7(2)14-6)8-3-9(12)5-10(13)4-8;1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9;1-7-11(15-8(2)13-7)9-4-5-10(14-3)12-6-9;1-8-11(13-9(2)12-8)10-6-4-3-5-7-10;1-8-3-4-10(9(2)7-8)13-12-6-5-11;1-6-4-8(3)9(10)5-7(6)2;1-5-6(10)3-4-7(11-2)8(5)9;1-5-3-4-7(10)6(2)8(5)9;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;1-5-4-6(8)2-3-7(5)9;1-5-3-4-7(8)6(2)9-5;1-6-4-2-3-5-7(6)8;9*3-1-2-4/h3-10H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-7,11,13H,1-2H3;4-5H,10H2,1-3H3;3-4H,10H2,1-2H3;3-4H,10H2,1-2H3;3-5H,9H2,1-2H3;2*3-5H,9H2,1-2H3;2-4H,9H2,1H3;3-4H,8H2,1-2H3;2-5H,8H2,1H3;9*1-4H/b;;;;;;;11-5+,12-6-;;;;;;;;;;9*3-1+,4-2+.

What are the key properties of 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline?

4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline has a molecular weight of 3331.72 g/mol, XLogP of 46.97, 22 rotatable bonds, 29 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-methylaniline;5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-chlorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3,5-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethylaniline;2,5-dimethylaniline;2,4-dimethyl-5-phenyl-1,3-thiazole;2,6-dimethylpyridin-3-amine;nonakis(ethane-1,2-diimine);3-fluoro-2,4-dimethylaniline;3-fluoro-4-methoxy-2-methylaniline;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;N-[(Z)-2-iminoethylideneamino]-2,4-dimethylaniline;4-methoxy-2-methylaniline;5-(6-methoxy-3-pyridinyl)-2,4-dimethyl-1,3-thiazole;2-methylaniline;1-methyl-2-(4-methylphenyl)benzene;2,4,5-trimethylaniline is sourced from PubChem (CID 172942159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).