2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole

C18H17NS — CID 134131724

IUPAC2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole
SMILESCc1ccc(-c2ccc(-c3nc(C)sc3C)cc2)cc1
InChIInChI=1S/C18H17NS/c1-12-4-6-15(7-5-12)16-8-10-17(11-9-16)18-13(2)20-14(3)19-18/h4-11H,1-3H3
InChIKeyHLRDREHELIXFNF-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.40
Rot. Bonds2

About 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole

2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole (PubChem CID 134131724) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole
PubChem CID134131724
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole
SMILESCc1ccc(-c2ccc(-c3nc(C)sc3C)cc2)cc1
InChIInChI=1S/C18H17NS/c1-12-4-6-15(7-5-12)16-8-10-17(11-9-16)18-13(2)20-14(3)19-18/h4-11H,1-3H3
InChIKeyHLRDREHELIXFNF-UHFFFAOYSA-N
XLogP5.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole (CID 134131724) is 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole is Cc1ccc(-c2ccc(-c3nc(C)sc3C)cc2)cc1.
What is the InChIKey of 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole?
The InChIKey is HLRDREHELIXFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-12-4-6-15(7-5-12)16-8-10-17(11-9-16)18-13(2)20-14(3)19-18/h4-11H,1-3H3.
What are the key properties of 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole?
2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole has a molecular weight of 279.41 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[4-(4-methylphenyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 134131724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).