2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole

C20H21NS — CID 134156935

IUPAC2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole
SMILESCc1cc(C)c(-c2ccc(-c3nc(C)sc3C)cc2)c(C)c1
InChIInChI=1S/C20H21NS/c1-12-10-13(2)19(14(3)11-12)17-6-8-18(9-7-17)20-15(4)22-16(5)21-20/h6-11H,1-5H3
InChIKeySBLYTGDCFOFIMQ-UHFFFAOYSA-N
MW307.46 g/mol
LogP6.02
Rot. Bonds2

About 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole

2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole (PubChem CID 134156935) has the molecular formula C20H21NS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole
PubChem CID134156935
Molecular FormulaC20H21NS
Molecular Weight307.46 g/mol
Exact Mass307.14
IUPAC Name2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole
SMILESCc1cc(C)c(-c2ccc(-c3nc(C)sc3C)cc2)c(C)c1
InChIInChI=1S/C20H21NS/c1-12-10-13(2)19(14(3)11-12)17-6-8-18(9-7-17)20-15(4)22-16(5)21-20/h6-11H,1-5H3
InChIKeySBLYTGDCFOFIMQ-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.46
LogP ≤ 56.02
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-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole (CID 134156935) is 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole is Cc1cc(C)c(-c2ccc(-c3nc(C)sc3C)cc2)c(C)c1.
What is the InChIKey of 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole?
The InChIKey is SBLYTGDCFOFIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NS/c1-12-10-13(2)19(14(3)11-12)17-6-8-18(9-7-17)20-15(4)22-16(5)21-20/h6-11H,1-5H3.
What are the key properties of 2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole?
2,5-dimethyl-4-[4-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole has a molecular weight of 307.46 g/mol, XLogP of 6.02, 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-(2,4,6-trimethylphenyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 134156935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).