3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine

C20H19N5S — CID 22423934

IUPAC3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
SMILESCc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)cc1
InChIInChI=1S/C20H19N5S/c1-12-4-7-15(8-5-12)17-11-26-20(22-17)18-19(21)25(24-23-18)16-9-6-13(2)14(3)10-16/h4-11H,21H2,1-3H3
InChIKeyRCFIMQDZPSOPNL-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.57
Rot. Bonds3

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

3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine (PubChem CID 22423934) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
PubChem CID22423934
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
SMILESCc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)cc1
InChIInChI=1S/C20H19N5S/c1-12-4-7-15(8-5-12)17-11-26-20(22-17)18-19(21)25(24-23-18)16-9-6-13(2)14(3)10-16/h4-11H,21H2,1-3H3
InChIKeyRCFIMQDZPSOPNL-UHFFFAOYSA-N
XLogP4.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine (CID 22423934) is 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine is Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)cc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The InChIKey is RCFIMQDZPSOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-12-4-7-15(8-5-12)17-11-26-20(22-17)18-19(21)25(24-23-18)16-9-6-13(2)14(3)10-16/h4-11H,21H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine has a molecular weight of 361.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]triazol-4-amine is sourced from PubChem (CID 22423934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).