2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

C118H128BrFN14O10S11 — CID 160535816

About 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 160535816) has the molecular formula C118H128BrFN14O10S11 and a molecular weight of 2354.05 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
• PubChem CID: 160535816
• Molecular Formula: C118H128BrFN14O10S11
• Molecular Weight: 2354.05 g/mol
• Exact Mass: 2350.60
• IUPAC Name: 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
• SMILES: CCOc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2.CN(C(=O)Cc1sccc1F)c1nc2c(s1)CCCC2.COc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2.COc1ccccc1CC(=O)N(c1ccccc1)c1nc2c(s1)CCCC2.Cc1csc(CC(=O)N(C)c2nc3c(s2)CCCC3)c1.O=C(Cc1cccs1)Nc1nc2c(s1)CCCC2.O=C(Cc1sccc1Br)N(c1ccccc1)c1nc2c(s1)CCCC2
• InChI: InChI=1S/C22H22N2O2S.C19H17BrN2OS2.C18H22N2O2S.C17H20N2O2S.C15H18N2OS2.C14H15FN2OS2.C13H14N2OS2/c1-26-19-13-7-5-9-16(19)15-21(25)24(17-10-3-2-4-11-17)22-23-18-12-6-8-14-20(18)27-22;20-14-10-11-24-17(14)12-18(23)22(13-6-2-1-3-7-13)19-21-15-8-4-5-9-16(15)25-19;1-3-22-15-10-6-4-8-13(15)12-17(21)20(2)18-19-14-9-5-7-11-16(14)23-18;1-19(17-18-13-8-4-6-10-15(13)22-17)16(20)11-12-7-3-5-9-14(12)21-2;1-10-7-11(19-9-10)8-14(18)17(2)15-16-12-5-3-4-6-13(12)20-15;1-17(13(18)8-12-9(15)6-7-19-12)14-16-10-4-2-3-5-11(10)20-14;16-12(8-9-4-3-7-17-9)15-13-14-10-5-1-2-6-11(10)18-13/h2-5,7,9-11,13H,6,8,12,14-15H2,1H3;1-3,6-7,10-11H,4-5,8-9,12H2;4,6,8,10H,3,5,7,9,11-12H2,1-2H3;3,5,7,9H,4,6,8,10-11H2,1-2H3;7,9H,3-6,8H2,1-2H3;6-7H,2-5,8H2,1H3;3-4,7H,1-2,5-6,8H2,(H,14,15,16)
• InChIKey: QWDHLGZRYSQUBV-UHFFFAOYSA-N
• XLogP: 27.84
• TPSA: 268.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.05
LogP ≤ 5	27.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?

The IUPAC name of 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 160535816) is 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?

The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CCOc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2.CN(C(=O)Cc1sccc1F)c1nc2c(s1)CCCC2.COc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2.COc1ccccc1CC(=O)N(c1ccccc1)c1nc2c(s1)CCCC2.Cc1csc(CC(=O)N(C)c2nc3c(s2)CCCC3)c1.O=C(Cc1cccs1)Nc1nc2c(s1)CCCC2.O=C(Cc1sccc1Br)N(c1ccccc1)c1nc2c(s1)CCCC2.

What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?

The InChIKey is QWDHLGZRYSQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S.C19H17BrN2OS2.C18H22N2O2S.C17H20N2O2S.C15H18N2OS2.C14H15FN2OS2.C13H14N2OS2/c1-26-19-13-7-5-9-16(19)15-21(25)24(17-10-3-2-4-11-17)22-23-18-12-6-8-14-20(18)27-22;20-14-10-11-24-17(14)12-18(23)22(13-6-2-1-3-7-13)19-21-15-8-4-5-9-16(15)25-19;1-3-22-15-10-6-4-8-13(15)12-17(21)20(2)18-19-14-9-5-7-11-16(14)23-18;1-19(17-18-13-8-4-6-10-15(13)22-17)16(20)11-12-7-3-5-9-14(12)21-2;1-10-7-11(19-9-10)8-14(18)17(2)15-16-12-5-3-4-6-13(12)20-15;1-17(13(18)8-12-9(15)6-7-19-12)14-16-10-4-2-3-5-11(10)20-14;16-12(8-9-4-3-7-17-9)15-13-14-10-5-1-2-6-11(10)18-13/h2-5,7,9-11,13H,6,8,12,14-15H2,1H3;1-3,6-7,10-11H,4-5,8-9,12H2;4,6,8,10H,3,5,7,9,11-12H2,1-2H3;3,5,7,9H,4,6,8,10-11H2,1-2H3;7,9H,3-6,8H2,1-2H3;6-7H,2-5,8H2,1H3;3-4,7H,1-2,5-6,8H2,(H,14,15,16).

What are the key properties of 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?

2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 2354.05 g/mol, XLogP of 27.84, 27 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 160535816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).