5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C25H24N2O2S — CID 72706878

IUPAC5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C25H24N2O2S/c1-28-21-12-8-19(9-13-21)17-26-25-27-24(20-10-14-22(29-2)15-11-20)23(30-25)16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,26,27)
InChIKeyKFZWXVMXJALBTJ-UHFFFAOYSA-N
MW416.55 g/mol
LogP6.03
Rot. Bonds8

About 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 72706878) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID72706878
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C25H24N2O2S/c1-28-21-12-8-19(9-13-21)17-26-25-27-24(20-10-14-22(29-2)15-11-20)23(30-25)16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,26,27)
InChIKeyKFZWXVMXJALBTJ-UHFFFAOYSA-N
XLogP6.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 72706878) is 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KFZWXVMXJALBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-28-21-12-8-19(9-13-21)17-26-25-27-24(20-10-14-22(29-2)15-11-20)23(30-25)16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,26,27).
What are the key properties of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 416.55 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72706878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).