5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C24H20Cl2N2OS — CID 72706940

IUPAC5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3c(Cl)cccc3Cl)sc2Cc2ccccc2)cc1
InChIInChI=1S/C24H20Cl2N2OS/c1-29-18-12-10-17(11-13-18)23-22(14-16-6-3-2-4-7-16)30-24(28-23)27-15-19-20(25)8-5-9-21(19)26/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyLQXCPANLETZRBT-UHFFFAOYSA-N
MW455.41 g/mol
LogP7.33
Rot. Bonds7

About 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 72706940) has the molecular formula C24H20Cl2N2OS and a molecular weight of 455.41 g/mol. Its IUPAC name is 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID72706940
Molecular FormulaC24H20Cl2N2OS
Molecular Weight455.41 g/mol
Exact Mass454.07
IUPAC Name5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3c(Cl)cccc3Cl)sc2Cc2ccccc2)cc1
InChIInChI=1S/C24H20Cl2N2OS/c1-29-18-12-10-17(11-13-18)23-22(14-16-6-3-2-4-7-16)30-24(28-23)27-15-19-20(25)8-5-9-21(19)26/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyLQXCPANLETZRBT-UHFFFAOYSA-N
XLogP7.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-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-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 72706940) is 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(NCc3c(Cl)cccc3Cl)sc2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is LQXCPANLETZRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2OS/c1-29-18-12-10-17(11-13-18)23-22(14-16-6-3-2-4-7-16)30-24(28-23)27-15-19-20(25)8-5-9-21(19)26/h2-13H,14-15H2,1H3,(H,27,28).
What are the key properties of 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 455.41 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 72706940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).