4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine

C99H122N16OS3 — CID 162188154

About 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine

4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine (PubChem CID 162188154) has the molecular formula C99H122N16OS3 and a molecular weight of 1648.38 g/mol. Its IUPAC name is 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine.

Molecular Properties

• Compound Name: 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine
• PubChem CID: 162188154
• Molecular Formula: C99H122N16OS3
• Molecular Weight: 1648.38 g/mol
• Exact Mass: 1646.91
• IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine
• SMILES: CCN(CC)c1nc2ccccc2n1CC.CN(C)CCc1c[nH]c2ccccc12.CN(C)Cc1c[nH]c2ccccc12.CN(C)Cc1cccs1.CN(C)c1ccc(C=Cc2nc3ccccc3s2)cc1.CNCCc1c[nH]c2ccccc12.COc1ccc2[nH]cc(CN(C)C)c2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1
• InChI: InChI=1S/C17H16N2S.C16H16N2S.C13H19N3.C12H16N2O.C12H16N2.2C11H14N2.C7H11NS/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17;1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3;1-4-15(5-2)13-14-11-9-7-8-10-12(11)16(13)6-3;1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12;1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;1-12-7-6-9-8-13-11-5-3-2-4-10(9)11;1-8(2)6-7-4-3-5-9-7/h3-12H,1-2H3;4-10H,1-3H3;7-10H,4-6H2,1-3H3;4-7,13H,8H2,1-3H3;3-6,9,13H,7-8H2,1-2H3;3-7,12H,8H2,1-2H3;2-5,8,12-13H,6-7H2,1H3;3-5H,6H2,1-2H3
• InChIKey: ZPXXGOQKSRWYKF-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 150.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1648.38
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine?

The IUPAC name of 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine (CID 162188154) is 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine.

What is the SMILES notation for 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine?

The canonical SMILES for 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine is CCN(CC)c1nc2ccccc2n1CC.CN(C)CCc1c[nH]c2ccccc12.CN(C)Cc1c[nH]c2ccccc12.CN(C)Cc1cccs1.CN(C)c1ccc(C=Cc2nc3ccccc3s2)cc1.CNCCc1c[nH]c2ccccc12.COc1ccc2[nH]cc(CN(C)C)c2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1.

What is the InChIKey of 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine?

The InChIKey is ZPXXGOQKSRWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S.C16H16N2S.C13H19N3.C12H16N2O.C12H16N2.2C11H14N2.C7H11NS/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17;1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3;1-4-15(5-2)13-14-11-9-7-8-10-12(11)16(13)6-3;1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12;1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;1-12-7-6-9-8-13-11-5-3-2-4-10(9)11;1-8(2)6-7-4-3-5-9-7/h3-12H,1-2H3;4-10H,1-3H3;7-10H,4-6H2,1-3H3;4-7,13H,8H2,1-3H3;3-6,9,13H,7-8H2,1-2H3;3-7,12H,8H2,1-2H3;2-5,8,12-13H,6-7H2,1H3;3-5H,6H2,1-2H3.

What are the key properties of 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine?

4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine has a molecular weight of 1648.38 g/mol, XLogP of 22.25, 22 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline;N,N-dimethyl-1-thiophen-2-ylmethanamine;2-(1H-indol-3-yl)-N,N-dimethylethanamine;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;2-(1H-indol-3-yl)-N-methylethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N,1-triethylbenzimidazol-2-amine is sourced from PubChem (CID 162188154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).