2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline

C17H16N2S — CID 79817066

IUPAC2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1ccc(Cc2nc(-c3ccccc3)cs2)cc1N
InChIInChI=1S/C17H16N2S/c1-12-7-8-13(9-15(12)18)10-17-19-16(11-20-17)14-5-3-2-4-6-14/h2-9,11H,10,18H2,1H3
InChIKeyCELCXMNATHNXSV-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.29
Rot. Bonds3

About 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline

2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 79817066) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID79817066
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1ccc(Cc2nc(-c3ccccc3)cs2)cc1N
InChIInChI=1S/C17H16N2S/c1-12-7-8-13(9-15(12)18)10-17-19-16(11-20-17)14-5-3-2-4-6-14/h2-9,11H,10,18H2,1H3
InChIKeyCELCXMNATHNXSV-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline 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

2-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817296
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
CID 79817942
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 79817613
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
2-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331131
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62595012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline (CID 79817066) is 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline is Cc1ccc(Cc2nc(-c3ccccc3)cs2)cc1N.
What is the InChIKey of 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is CELCXMNATHNXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-7-8-13(9-15(12)18)10-17-19-16(11-20-17)14-5-3-2-4-6-14/h2-9,11H,10,18H2,1H3.
What are the key properties of 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 280.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 79817066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).