N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine

C23H20N2OS — CID 66835520

IUPACN-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C23H20N2OS/c1-26-21-14-12-19(13-15-21)22-16-24-23(27-22)25(20-10-6-3-7-11-20)17-18-8-4-2-5-9-18/h2-16H,17H2,1H3
InChIKeyHVHHOVWDEWECQG-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.16
Rot. Bonds6

About N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine

N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 66835520) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID66835520
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C23H20N2OS/c1-26-21-14-12-19(13-15-21)22-16-24-23(27-22)25(20-10-6-3-7-11-20)17-18-8-4-2-5-9-18/h2-16H,17H2,1H3
InChIKeyHVHHOVWDEWECQG-UHFFFAOYSA-N
XLogP6.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-(4-methoxyphenyl)-N-phenyl-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 N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine (CID 66835520) is N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine is COc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is HVHHOVWDEWECQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-26-21-14-12-19(13-15-21)22-16-24-23(27-22)25(20-10-6-3-7-11-20)17-18-8-4-2-5-9-18/h2-16H,17H2,1H3.
What are the key properties of N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 372.49 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 66835520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).