5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene

C205H197Cl3F3N15O11S7 — CID 160983574

About 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene

5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene (PubChem CID 160983574) has the molecular formula C205H197Cl3F3N15O11S7 and a molecular weight of 3434.75 g/mol. Its IUPAC name is 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene.

Molecular Properties

• Compound Name: 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
• PubChem CID: 160983574
• Molecular Formula: C205H197Cl3F3N15O11S7
• Molecular Weight: 3434.75 g/mol
• Exact Mass: 3430.24
• IUPAC Name: 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
• SMILES: CC1=CC2CN(C(=O)C(F)(F)F)CCC2C=C1.CCc1ccc2ccccc2c1.Cc1c(Cl)nc2sccn12.Cc1cc2ccccc2s1.Cc1ccc2[nH]c(=O)sc2c1.Cc1ccc2c(Cl)cccc2c1.Cc1ccc2c(c1)CCC(C)(C)O2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)NC(=O)CC(=O)N2.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccccc2c1.Cc1ccc2nsnc2c1C.Cc1ccc2oc(=O)ccc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2cccnc12.Cc1cccc2cnccc12.Cc1cccc2nsnc12.Cc1cnc2c(C)cccc2c1.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1sc2ccc(Cl)cc2c1C
• InChI: InChI=1S/C13H10O.C12H14F3NO.C12H16O.C12H12.C11H9Cl.C11H11N.C11H10.C10H9ClS.C10H10N2O2.2C10H9N.C10H8O2.C9H10O2.C9H10O.2C9H8S.C8H8N2S.C8H8N2.C8H7NOS.C7H6N2S.C6H5ClN2S/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-8-2-3-9-4-5-16(7-10(9)6-8)11(17)12(13,14)15;1-9-4-5-11-10(8-9)6-7-12(2,3)13-11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-5-6-10-9(7-8)3-2-4-11(10)12;1-8-6-10-5-3-4-9(2)11(10)12-7-8;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-7(2)12-10-4-3-8(11)5-9(6)10;1-6-2-3-7-8(4-6)12-10(14)5-9(13)11-7;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-3-2-4-9-7-11-6-5-10(8)9;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-4-7-8(6(5)2)10-11-9-7;1-6-9-7-4-2-3-5-8(7)10-6;1-5-2-3-6-7(4-5)11-8(10)9-6;1-5-3-2-4-6-7(5)9-10-8-6;1-4-5(7)8-6-9(4)2-3-10-6/h2-8H,1H3;2-3,6,9-10H,4-5,7H2,1H3;4-5,8H,6-7H2,1-3H3;3-9H,2H2,1H3;2-7H,1H3;3-7H,1-2H3;2-8H,1H3;3-5H,1-2H3;2-4H,5H2,1H3,(H,11,13)(H,12,14);2*2-7H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;3-4H,1-2H3;2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-4H,1H3;2-3H,1H3
• InChIKey: SZVCCQNPPDJPIC-UHFFFAOYSA-N
• XLogP: 55.91
• TPSA: 327.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 1
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3434.75
LogP ≤ 5	55.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene?

The IUPAC name of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene (CID 160983574) is 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene.

What is the SMILES notation for 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene?

The canonical SMILES for 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene is CC1=CC2CN(C(=O)C(F)(F)F)CCC2C=C1.CCc1ccc2ccccc2c1.Cc1c(Cl)nc2sccn12.Cc1cc2ccccc2s1.Cc1ccc2[nH]c(=O)sc2c1.Cc1ccc2c(Cl)cccc2c1.Cc1ccc2c(c1)CCC(C)(C)O2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)NC(=O)CC(=O)N2.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccccc2c1.Cc1ccc2nsnc2c1C.Cc1ccc2oc(=O)ccc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2cccnc12.Cc1cccc2cnccc12.Cc1cccc2nsnc12.Cc1cnc2c(C)cccc2c1.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1sc2ccc(Cl)cc2c1C.

What is the InChIKey of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene?

The InChIKey is SZVCCQNPPDJPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H14F3NO.C12H16O.C12H12.C11H9Cl.C11H11N.C11H10.C10H9ClS.C10H10N2O2.2C10H9N.C10H8O2.C9H10O2.C9H10O.2C9H8S.C8H8N2S.C8H8N2.C8H7NOS.C7H6N2S.C6H5ClN2S/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-8-2-3-9-4-5-16(7-10(9)6-8)11(17)12(13,14)15;1-9-4-5-11-10(8-9)6-7-12(2,3)13-11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-5-6-10-9(7-8)3-2-4-11(10)12;1-8-6-10-5-3-4-9(2)11(10)12-7-8;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-7(2)12-10-4-3-8(11)5-9(6)10;1-6-2-3-7-8(4-6)12-10(14)5-9(13)11-7;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-3-2-4-9-7-11-6-5-10(8)9;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-4-7-8(6(5)2)10-11-9-7;1-6-9-7-4-2-3-5-8(7)10-6;1-5-2-3-6-7(4-5)11-8(10)9-6;1-5-3-2-4-6-7(5)9-10-8-6;1-4-5(7)8-6-9(4)2-3-10-6/h2-8H,1H3;2-3,6,9-10H,4-5,7H2,1H3;4-5,8H,6-7H2,1-3H3;3-9H,2H2,1H3;2-7H,1H3;3-7H,1-2H3;2-8H,1H3;3-5H,1-2H3;2-4H,5H2,1H3,(H,11,13)(H,12,14);2*2-7H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;3-4H,1-2H3;2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-4H,1H3;2-3H,1H3.

What are the key properties of 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene?

5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene has a molecular weight of 3434.75 g/mol, XLogP of 55.91, 1 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene is sourced from PubChem (CID 160983574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).