2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C135H148BrF3N16O11S10 — CID 167591589

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 167591589) has the molecular formula C135H148BrF3N16O11S10 and a molecular weight of 2628.34 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
• PubChem CID: 167591589
• Molecular Formula: C135H148BrF3N16O11S10
• Molecular Weight: 2628.34 g/mol
• Exact Mass: 2624.79
• IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
• SMILES: C=CCN(C(=O)C(C)Oc1ccc(F)c(F)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Oc1cccc(C)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Sc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccccc1C#N)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(Br)cc1C)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccccc1F)c1nc2c(s1)CCCC2.[C-]#[N+]c1ccc(OC(C)C(=O)N(CC=C)c2nc3c(s2)CCCC3)cc1
• InChI: InChI=1S/C20H21N3O2S.C20H24N2O2S.C20H24N2OS2.C19H21BrN2OS2.C19H20F2N2O2S.C19H19N3O2S.C18H19FN2OS2/c1-4-13-23(20-22-17-7-5-6-8-18(17)26-20)19(24)14(2)25-16-11-9-15(21-3)10-12-16;1-4-12-22(20-21-17-10-5-6-11-18(17)25-20)19(23)15(3)24-16-9-7-8-14(2)13-16;1-4-13-22(20-21-17-7-5-6-8-18(17)25-20)19(23)15(3)24-16-11-9-14(2)10-12-16;1-3-10-22(19-21-15-6-4-5-7-17(15)25-19)18(23)12-24-16-9-8-14(20)11-13(16)2;1-3-10-23(19-22-16-6-4-5-7-17(16)26-19)18(24)12(2)25-13-8-9-14(20)15(21)11-13;1-2-11-22(19-21-15-8-4-6-10-17(15)25-19)18(23)13-24-16-9-5-3-7-14(16)12-20;1-2-11-21(18-20-14-8-4-6-10-16(14)24-18)17(22)12-23-15-9-5-3-7-13(15)19/h4,9-12,14H,1,5-8,13H2,2H3;4,7-9,13,15H,1,5-6,10-12H2,2-3H3;4,9-12,15H,1,5-8,13H2,2-3H3;3,8-9,11H,1,4-7,10,12H2,2H3;3,8-9,11-12H,1,4-7,10H2,2H3;2-3,5,7,9H,1,4,6,8,10-11,13H2;2-3,5,7,9H,1,4,6,8,10-12H2
• InChIKey: IMXLVZMBGGNOAX-UHFFFAOYSA-N
• XLogP: 31.56
• TPSA: 297.47 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2628.34
LogP ≤ 5	31.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?

The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 167591589) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?

The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is C=CCN(C(=O)C(C)Oc1ccc(F)c(F)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Oc1cccc(C)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Sc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccccc1C#N)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(Br)cc1C)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccccc1F)c1nc2c(s1)CCCC2.[C-]#[N+]c1ccc(OC(C)C(=O)N(CC=C)c2nc3c(s2)CCCC3)cc1.

What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?

The InChIKey is IMXLVZMBGGNOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.C20H24N2O2S.C20H24N2OS2.C19H21BrN2OS2.C19H20F2N2O2S.C19H19N3O2S.C18H19FN2OS2/c1-4-13-23(20-22-17-7-5-6-8-18(17)26-20)19(24)14(2)25-16-11-9-15(21-3)10-12-16;1-4-12-22(20-21-17-10-5-6-11-18(17)25-20)19(23)15(3)24-16-9-7-8-14(2)13-16;1-4-13-22(20-21-17-7-5-6-8-18(17)25-20)19(23)15(3)24-16-11-9-14(2)10-12-16;1-3-10-22(19-21-15-6-4-5-7-17(15)25-19)18(23)12-24-16-9-8-14(20)11-13(16)2;1-3-10-23(19-22-16-6-4-5-7-17(16)26-19)18(24)12(2)25-13-8-9-14(20)15(21)11-13;1-2-11-22(19-21-15-8-4-6-10-17(15)25-19)18(23)13-24-16-9-5-3-7-14(16)12-20;1-2-11-21(18-20-14-8-4-6-10-16(14)24-18)17(22)12-23-15-9-5-3-7-13(15)19/h4,9-12,14H,1,5-8,13H2,2H3;4,7-9,13,15H,1,5-6,10-12H2,2-3H3;4,9-12,15H,1,5-8,13H2,2-3H3;3,8-9,11H,1,4-7,10,12H2,2H3;3,8-9,11-12H,1,4-7,10H2,2H3;2-3,5,7,9H,1,4,6,8,10-11,13H2;2-3,5,7,9H,1,4,6,8,10-12H2.

What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?

2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 2628.34 g/mol, XLogP of 31.56, 42 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 167591589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).