2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C116H129ClN14O15S6 — CID 167577914

About 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 167577914) has the molecular formula C116H129ClN14O15S6 and a molecular weight of 2187.25 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 167577914
• Molecular Formula: C116H129ClN14O15S6
• Molecular Weight: 2187.25 g/mol
• Exact Mass: 2184.78
• IUPAC Name: 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
• SMILES: C=CCN(C(=O)COc1ccc(C#N)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccc(C#N)cc1OCC)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccc(C)cc1OC)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccccc1Cl)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccccc1OC)c1nc2c(s1)CCCC2
• InChI: InChI=1S/C21H23N3O3S.C20H24N2O3S.C19H19N3O2S.C19H22N2O3S.C19H22N2O2S.C18H19ClN2O2S/c1-3-11-24(21-23-16-7-5-6-8-19(16)28-21)20(25)14-27-17-10-9-15(13-22)12-18(17)26-4-2;1-4-11-22(20-21-15-7-5-6-8-18(15)26-20)19(23)13-25-16-10-9-14(2)12-17(16)24-3;1-2-11-22(19-21-16-5-3-4-6-17(16)25-19)18(23)13-24-15-9-7-14(12-20)8-10-15;1-3-12-21(19-20-14-8-4-7-11-17(14)25-19)18(22)13-24-16-10-6-5-9-15(16)23-2;1-3-12-21(19-20-16-6-4-5-7-17(16)24-19)18(22)13-23-15-10-8-14(2)9-11-15;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/h3,9-10,12H,1,4-8,11,14H2,2H3;4,9-10,12H,1,5-8,11,13H2,2-3H3;2,7-10H,1,3-6,11,13H2;3,5-6,9-10H,1,4,7-8,11-13H2,2H3;3,8-11H,1,4-7,12-13H2,2H3;2-3,5,7,9H,1,4,6,8,10-12H2
• InChIKey: GUANFLUACGNEHM-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 329.85 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2187.25
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 167577914) is 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is C=CCN(C(=O)COc1ccc(C#N)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccc(C#N)cc1OCC)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccc(C)cc1OC)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccccc1Cl)c1nc2c(s1)CCCC2.C=CCN(C(=O)COc1ccccc1OC)c1nc2c(s1)CCCC2.

What is the InChIKey of 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is GUANFLUACGNEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S.C20H24N2O3S.C19H19N3O2S.C19H22N2O3S.C19H22N2O2S.C18H19ClN2O2S/c1-3-11-24(21-23-16-7-5-6-8-19(16)28-21)20(25)14-27-17-10-9-15(13-22)12-18(17)26-4-2;1-4-11-22(20-21-15-7-5-6-8-18(15)26-20)19(23)13-25-16-10-9-14(2)12-17(16)24-3;1-2-11-22(19-21-16-5-3-4-6-17(16)25-19)18(23)13-24-15-9-7-14(12-20)8-10-15;1-3-12-21(19-20-14-8-4-7-11-17(14)25-19)18(22)13-24-16-10-6-5-9-15(16)23-2;1-3-12-21(19-20-16-6-4-5-7-17(16)24-19)18(22)13-23-15-10-8-14(2)9-11-15;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/h3,9-10,12H,1,4-8,11,14H2,2H3;4,9-10,12H,1,5-8,11,13H2,2-3H3;2,7-10H,1,3-6,11,13H2;3,5-6,9-10H,1,4,7-8,11-13H2,2H3;3,8-11H,1,4-7,12-13H2,2H3;2-3,5,7,9H,1,4,6,8,10-12H2.

What are the key properties of 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?

2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 2187.25 g/mol, XLogP of 23.15, 40 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyano-2-ethoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxy-4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 167577914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).