N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C17H18N2S — CID 63182912

IUPACN-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C17H18N2S/c1-12-7-6-8-13(2)16(12)19-17-18-15(11-20-17)14-9-4-3-5-10-14/h3-10,15H,11H2,1-2H3,(H,18,19)
InChIKeyNOFAZOQSOOWDTO-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.56
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63182912) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63182912
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C17H18N2S/c1-12-7-6-8-13(2)16(12)19-17-18-15(11-20-17)14-9-4-3-5-10-14/h3-10,15H,11H2,1-2H3,(H,18,19)
InChIKeyNOFAZOQSOOWDTO-UHFFFAOYSA-N
XLogP4.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-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-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63182912) is N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(C)c1NC1=NC(c2ccccc2)CS1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NOFAZOQSOOWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-7-6-8-13(2)16(12)19-17-18-15(11-20-17)14-9-4-3-5-10-14/h3-10,15H,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63182912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).