2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene

C18H24N2S2 — CID 160729292

IUPAC2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
SMILESCc1ccc(C)nc1.Cc1ccc(C)s1.Cc1cnc(C)s1
InChIInChI=1S/C7H9N.C6H8S.C5H7NS/c1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5;1-4-3-6-5(2)7-4/h3-5H,1-2H3;3-4H,1-2H3;3H,1-2H3
InChIKeyRUCRWTREPUJPKQ-UHFFFAOYSA-N
MW332.54 g/mol
LogP5.82
Rot. Bonds

About 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene

2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene (PubChem CID 160729292) has the molecular formula C18H24N2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
PubChem CID160729292
Molecular FormulaC18H24N2S2
Molecular Weight332.54 g/mol
Exact Mass332.14
IUPAC Name2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
SMILESCc1ccc(C)nc1.Cc1ccc(C)s1.Cc1cnc(C)s1
InChIInChI=1S/C7H9N.C6H8S.C5H7NS/c1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5;1-4-3-6-5(2)7-4/h3-5H,1-2H3;3-4H,1-2H3;3H,1-2H3
InChIKeyRUCRWTREPUJPKQ-UHFFFAOYSA-N
XLogP5.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
CID 158724311
bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene
CID 158743714
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
CID 161195002
CID 161195002
2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene
CID 161222275
bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;methane
CID 158295458
2,5,9-trimethylazecine
CID 144887910
2,5-dimethylpyridine;thiolane
CID 67563776
1,4-dimethylcyclohexane;2,5-dimethylfuran;1,4-dimethylpiperidine;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,3-xylene;1,4-xylene
CID 160508575
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 123316346
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole
CID 91557964

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene?
The IUPAC name of 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene (CID 160729292) is 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene.
What is the SMILES notation for 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene?
The canonical SMILES for 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene is Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1cnc(C)s1.
What is the InChIKey of 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene?
The InChIKey is RUCRWTREPUJPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H8S.C5H7NS/c1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5;1-4-3-6-5(2)7-4/h3-5H,1-2H3;3-4H,1-2H3;3H,1-2H3.
What are the key properties of 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene?
2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene has a molecular weight of 332.54 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene is sourced from PubChem (CID 160729292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).