butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine

C134H163N13OS4 — CID 158943938

About butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine

butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine (PubChem CID 158943938) has the molecular formula C134H163N13OS4 and a molecular weight of 2100.14 g/mol. Its IUPAC name is butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine.

Molecular Properties

• Compound Name: butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine
• PubChem CID: 158943938
• Molecular Formula: C134H163N13OS4
• Molecular Weight: 2100.14 g/mol
• Exact Mass: 2098.20
• IUPAC Name: butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC(=O)CCc1ccccc1.CCCC.CCCc1cc(-c2csc(-c3ccc(C)cc3)n2)ccn1.CCCc1cc(-c2nc(-c3ccc(C)cc3C)cs2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1.CCCc1cc(C2=NC(c3ccccc3)=CC2)ccn1.Cc1ccc(-c2csc(-c3ccccn3)n2)cc1.Cc1ccc(-c2csc(Cc3cn(C)c4ccccc34)n2)cc1
• InChI: InChI=1S/C20H18N2S.C19H20N2S.C18H19N3.C18H18N2S.C18H18N2.C15H12N2S.C10H12O.C4H10.6C2H6/c1-14-7-9-15(10-8-14)18-13-23-20(21-18)11-16-12-22(2)19-6-4-3-5-17(16)19;1-4-5-16-11-15(8-9-20-16)19-21-18(12-22-19)17-7-6-13(2)10-14(17)3;1-3-4-16-13-17(9-11-19-16)21-12-10-18(20-21)15-7-5-14(2)6-8-15;1-3-4-16-11-15(9-10-19-16)17-12-21-18(20-17)14-7-5-13(2)6-8-14;1-2-6-16-13-15(11-12-19-16)18-10-9-17(20-18)14-7-4-3-5-8-14;1-11-5-7-12(8-6-11)14-10-18-15(17-14)13-4-2-3-9-16-13;1-9(11)7-8-10-5-3-2-4-6-10;1-3-4-2;6*1-2/h3-10,12-13H,11H2,1-2H3;6-12H,4-5H2,1-3H3;5-13H,3-4H2,1-2H3;5-12H,3-4H2,1-2H3;3-5,7-9,11-13H,2,6,10H2,1H3;2-10H,1H3;2-6H,7-8H2,1H3;3-4H2,1-2H3;6*1-2H3
• InChIKey: JKPAMILBWARDBX-UHFFFAOYSA-N
• XLogP: 38.59
• TPSA: 168.19 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.14
LogP ≤ 5	38.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine?

The IUPAC name of butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine (CID 158943938) is butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine.

What is the SMILES notation for butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine?

The canonical SMILES for butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine is CC.CC.CC.CC.CC.CC.CC(=O)CCc1ccccc1.CCCC.CCCc1cc(-c2csc(-c3ccc(C)cc3)n2)ccn1.CCCc1cc(-c2nc(-c3ccc(C)cc3C)cs2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1.CCCc1cc(C2=NC(c3ccccc3)=CC2)ccn1.Cc1ccc(-c2csc(-c3ccccn3)n2)cc1.Cc1ccc(-c2csc(Cc3cn(C)c4ccccc34)n2)cc1.

What is the InChIKey of butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine?

The InChIKey is JKPAMILBWARDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S.C19H20N2S.C18H19N3.C18H18N2S.C18H18N2.C15H12N2S.C10H12O.C4H10.6C2H6/c1-14-7-9-15(10-8-14)18-13-23-20(21-18)11-16-12-22(2)19-6-4-3-5-17(16)19;1-4-5-16-11-15(8-9-20-16)19-21-18(12-22-19)17-7-6-13(2)10-14(17)3;1-3-4-16-13-17(9-11-19-16)21-12-10-18(20-21)15-7-5-14(2)6-8-15;1-3-4-16-11-15(9-10-19-16)17-12-21-18(20-17)14-7-5-13(2)6-8-14;1-2-6-16-13-15(11-12-19-16)18-10-9-17(20-18)14-7-4-3-5-8-14;1-11-5-7-12(8-6-11)14-10-18-15(17-14)13-4-2-3-9-16-13;1-9(11)7-8-10-5-3-2-4-6-10;1-3-4-2;6*1-2/h3-10,12-13H,11H2,1-2H3;6-12H,4-5H2,1-3H3;5-13H,3-4H2,1-2H3;5-12H,3-4H2,1-2H3;3-5,7-9,11-13H,2,6,10H2,1H3;2-10H,1H3;2-6H,7-8H2,1H3;3-4H2,1-2H3;6*1-2H3.

What are the key properties of butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine?

butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine has a molecular weight of 2100.14 g/mol, XLogP of 38.59, 25 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine is sourced from PubChem (CID 158943938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).