N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine

C22H18N2S — CID 54581035

IUPACN-benzyl-N,5-diphenyl-1,3-thiazol-2-amine
SMILESc1ccc(CN(c2ccccc2)c2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H18N2S/c1-4-10-18(11-5-1)17-24(20-14-8-3-9-15-20)22-23-16-21(25-22)19-12-6-2-7-13-19/h1-16H,17H2
InChIKeyDFLHGWOTIQKYSX-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.15
Rot. Bonds5

About N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine

N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine (PubChem CID 54581035) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N,5-diphenyl-1,3-thiazol-2-amine
PubChem CID54581035
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC NameN-benzyl-N,5-diphenyl-1,3-thiazol-2-amine
SMILESc1ccc(CN(c2ccccc2)c2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H18N2S/c1-4-10-18(11-5-1)17-24(20-14-8-3-9-15-20)22-23-16-21(25-22)19-12-6-2-7-13-19/h1-16H,17H2
InChIKeyDFLHGWOTIQKYSX-UHFFFAOYSA-N
XLogP6.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N,5-diphenyl-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-N,5-diphenyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine (CID 54581035) is N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine is c1ccc(CN(c2ccccc2)c2ncc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine?
The InChIKey is DFLHGWOTIQKYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c1-4-10-18(11-5-1)17-24(20-14-8-3-9-15-20)22-23-16-21(25-22)19-12-6-2-7-13-19/h1-16H,17H2.
What are the key properties of N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine?
N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine has a molecular weight of 342.47 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54581035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).