3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole
C156H168N12OS3 — CID 158629512
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1[nH]ccc1-c1ccccc1.CC(C)c1ccc(-c2cc[nH]c2)cc1.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2ccco2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cnc(-c2ccccc2)cn1.CC(C)c1cnc(-c2ccccc2)s1.CC(C)c1csc(-c2ccccc2)c1.Cc1cccnc1-c1ccccc1
InChIInChI=1S/3C14H15N.2C13H14N2.2C13H15N.C13H14O.C13H14S.2C12H13NS.C12H11N/c1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13;1-10(2)12-8-15-13(9-14-12)11-6-4-3-5-7-11;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-10(2)12-8-13(14-9-12)11-6-4-3-5-7-11;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h3*3-11H,1-2H3;2*3-10H,1-2H3;2*3-10,14H,1-2H3;2*3-10H,1-2H3;2*3-9H,1-2H3;2-9H,1H3
InChIKeyHZABGZOBVIQNPW-UHFFFAOYSA-N
MW2323.34 g/mol
LogP45.29
Rot. Bonds23
About 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole
3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 158629512) has the molecular formula C156H168N12OS3 and a molecular weight of 2323.34 g/mol. Its IUPAC name is 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole.
Molecular Properties
| Compound Name | 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole |
|---|---|
| PubChem CID | 158629512 |
| Molecular Formula | C156H168N12OS3 |
| Molecular Weight | 2323.34 g/mol |
| Exact Mass | 2321.26 |
| IUPAC Name | 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole |
| SMILES | CC(C)c1[nH]ccc1-c1ccccc1.CC(C)c1ccc(-c2cc[nH]c2)cc1.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2ccco2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cnc(-c2ccccc2)cn1.CC(C)c1cnc(-c2ccccc2)s1.CC(C)c1csc(-c2ccccc2)c1.Cc1cccnc1-c1ccccc1 |
| InChI | InChI=1S/3C14H15N.2C13H14N2.2C13H15N.C13H14O.C13H14S.2C12H13NS.C12H11N/c1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13;1-10(2)12-8-15-13(9-14-12)11-6-4-3-5-7-11;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-10(2)12-8-13(14-9-12)11-6-4-3-5-7-11;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h3*3-11H,1-2H3;2*3-10H,1-2H3;2*3-10,14H,1-2H3;2*3-10H,1-2H3;2*3-9H,1-2H3;2-9H,1H3 |
| InChIKey | HZABGZOBVIQNPW-UHFFFAOYSA-N |
| XLogP | 45.29 |
| TPSA | 173.62 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 172 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2323.34 |
| LogP ≤ 5 | 45.29 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
Frequently Asked Questions
What is the IUPAC name of 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 158629512) is 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1[nH]ccc1-c1ccccc1.CC(C)c1ccc(-c2cc[nH]c2)cc1.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2ccco2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cnc(-c2ccccc2)cn1.CC(C)c1cnc(-c2ccccc2)s1.CC(C)c1csc(-c2ccccc2)c1.Cc1cccnc1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is HZABGZOBVIQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H15N.2C13H14N2.2C13H15N.C13H14O.C13H14S.2C12H13NS.C12H11N/c1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13;1-10(2)12-8-15-13(9-14-12)11-6-4-3-5-7-11;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-10(2)12-8-13(14-9-12)11-6-4-3-5-7-11;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h3*3-11H,1-2H3;2*3-10H,1-2H3;2*3-10,14H,1-2H3;2*3-10H,1-2H3;2*3-9H,1-2H3;2-9H,1H3.
What are the key properties of 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole?
3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 2323.34 g/mol, XLogP of 45.29, 23 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylpyridine;2-phenyl-5-propan-2-ylpyrazine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 158629512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158629512 — identifiers, structure, computed properties (public domain)
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