2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine

C183H202ClFN18O12S3 — CID 158169379

About 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine

2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine (PubChem CID 158169379) has the molecular formula C183H202ClFN18O12S3 and a molecular weight of 2996.39 g/mol. Its IUPAC name is 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine.

Molecular Properties

• Compound Name: 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine
• PubChem CID: 158169379
• Molecular Formula: C183H202ClFN18O12S3
• Molecular Weight: 2996.39 g/mol
• Exact Mass: 2993.46
• IUPAC Name: 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine
• SMILES: CCOc1ccc2cc(C)ccc2c1.COc1ccc2ccccc2c1.COc1ncc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(F)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc(Oc2ccccc2)cc1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)OCCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C(=O)NC2CC2)c1.Cc1cccc2c1oc1ccccc12.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1
• InChI: InChI=1S/C13H10O.C13H12O.C13H14O.C12H15NO2.C11H13NO.2C11H10O.C10H14N2O.2C10H12N2.C10H12O2.2C9H8S.C7H10N2.C7H9N.C6H6FN.C6H8N2O.C5H5ClS.C5H8N2.C5H6N2/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;1-8-3-2-4-9(7-8)11(13)12-10-5-6-10;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-8-3-4-9-10(7-8)12-6-2-5-11-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-8-7(3)9-6(5)2;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)8-4-5;1-5-3-7-6(9-2)8-4-5;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5/h2-8H,1H3;2-10H,1H3;4-9H,3H2,1-2H3;2-4,9H,5-8H2,1H3;2-4,7,10H,5-6H2,1H3,(H,12,13);2-7,12H,1H3;2-8H,1H3;2-3,8H,4-7H2,1H3;2*4-6H,1-3H3;3-4,7H,2,5-6H2,1H3;2*2-6H,1H3;4H,1-3H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3
• InChIKey: FXGKQPWBAXCUTM-UHFFFAOYSA-N
• XLogP: 44.11
• TPSA: 329.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 10
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2996.39
LogP ≤ 5	44.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

The IUPAC name of 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine (CID 158169379) is 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine.

What is the SMILES notation for 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

The canonical SMILES for 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine is CCOc1ccc2cc(C)ccc2c1.COc1ccc2ccccc2c1.COc1ncc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(F)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc(Oc2ccccc2)cc1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)OCCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C(=O)NC2CC2)c1.Cc1cccc2c1oc1ccccc12.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1.

What is the InChIKey of 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

The InChIKey is FXGKQPWBAXCUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C13H12O.C13H14O.C12H15NO2.C11H13NO.2C11H10O.C10H14N2O.2C10H12N2.C10H12O2.2C9H8S.C7H10N2.C7H9N.C6H6FN.C6H8N2O.C5H5ClS.C5H8N2.C5H6N2/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;1-8-3-2-4-9(7-8)11(13)12-10-5-6-10;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-8-3-4-9-10(7-8)12-6-2-5-11-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-8-7(3)9-6(5)2;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)8-4-5;1-5-3-7-6(9-2)8-4-5;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5/h2-8H,1H3;2-10H,1H3;4-9H,3H2,1-2H3;2-4,9H,5-8H2,1H3;2-4,7,10H,5-6H2,1H3,(H,12,13);2-7,12H,1H3;2-8H,1H3;2-3,8H,4-7H2,1H3;2*4-6H,1-3H3;3-4,7H,2,5-6H2,1H3;2*2-6H,1H3;4H,1-3H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3.

What are the key properties of 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine has a molecular weight of 2996.39 g/mol, XLogP of 44.11, 10 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine is sourced from PubChem (CID 158169379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).