4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine

C19H20N2S — CID 691643

IUPAC4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(-c2csc(Nc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C19H20N2S/c1-12-5-6-14(3)17(9-12)18-11-22-19(21-18)20-16-8-7-13(2)15(4)10-16/h5-11H,1-4H3,(H,20,21)
InChIKeyAPCPGRSHWZYJEA-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.79
Rot. Bonds3

About 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine

4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 691643) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID691643
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(-c2csc(Nc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C19H20N2S/c1-12-5-6-14(3)17(9-12)18-11-22-19(21-18)20-16-8-7-13(2)15(4)10-16/h5-11H,1-4H3,(H,20,21)
InChIKeyAPCPGRSHWZYJEA-UHFFFAOYSA-N
XLogP5.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 691643) is 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(C)c(-c2csc(Nc3ccc(C)c(C)c3)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is APCPGRSHWZYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-12-5-6-14(3)17(9-12)18-11-22-19(21-18)20-16-8-7-13(2)15(4)10-16/h5-11H,1-4H3,(H,20,21).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 691643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).