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

C16H14Cl2N2S — CID 63183314

IUPACN-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NC(c3ccccc3)CS2)c1Cl
InChIInChI=1S/C16H14Cl2N2S/c1-10-7-8-12(17)15(14(10)18)20-16-19-13(9-21-16)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,19,20)
InChIKeyAXCCKRKTHOVKOQ-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.56
Rot. Bonds2

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

N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63183314) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63183314
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NC(c3ccccc3)CS2)c1Cl
InChIInChI=1S/C16H14Cl2N2S/c1-10-7-8-12(17)15(14(10)18)20-16-19-13(9-21-16)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,19,20)
InChIKeyAXCCKRKTHOVKOQ-UHFFFAOYSA-N
XLogP5.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichloro-3-methylphenyl)-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

Related Compounds

N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182912
N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183024
N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186697
N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182970
N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183120
N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 103586627
N-(4-fluoro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63184109
N-(3-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 79049823
N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637509
N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439673
N-(2-bromo-5-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275549
N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182910

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63183314) is N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(Cl)c(NC2=NC(c3ccccc3)CS2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AXCCKRKTHOVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c1-10-7-8-12(17)15(14(10)18)20-16-19-13(9-21-16)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,19,20).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 337.28 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63183314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).