2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole

C22H20N2S2 — CID 46339242

IUPAC2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3nc(-c4ccc(C)c(C)c4)cs3)sc2C)cc1
InChIInChI=1S/C22H20N2S2/c1-13-5-8-17(9-6-13)20-16(4)26-22(24-20)21-23-19(12-25-21)18-10-7-14(2)15(3)11-18/h5-12H,1-4H3
InChIKeyWNXNYBTUMULUPX-UHFFFAOYSA-N
MW376.55 g/mol
LogP6.83
Rot. Bonds3

About 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole

2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 46339242) has the molecular formula C22H20N2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
PubChem CID46339242
Molecular FormulaC22H20N2S2
Molecular Weight376.55 g/mol
Exact Mass376.11
IUPAC Name2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3nc(-c4ccc(C)c(C)c4)cs3)sc2C)cc1
InChIInChI=1S/C22H20N2S2/c1-13-5-8-17(9-6-13)20-16(4)26-22(24-20)21-23-19(12-25-21)18-10-7-14(2)15(3)11-18/h5-12H,1-4H3
InChIKeyWNXNYBTUMULUPX-UHFFFAOYSA-N
XLogP6.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 20944699
4-(4-chlorophenyl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole
CID 20944731
2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 20944735
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-(4-chlorophenyl)-5-methyl-1,3-thiazole
CID 46339240
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 4658652
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 103597395
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole (CID 46339242) is 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(-c3nc(-c4ccc(C)c(C)c4)cs3)sc2C)cc1.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is WNXNYBTUMULUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2S2/c1-13-5-8-17(9-6-13)20-16(4)26-22(24-20)21-23-19(12-25-21)18-10-7-14(2)15(3)11-18/h5-12H,1-4H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole?
2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 376.55 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 46339242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).