[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine

C17H16N2S — CID 63152013

IUPAC[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H16N2S/c18-11-14-6-8-15(9-7-14)16-12-20-17(19-16)10-13-4-2-1-3-5-13/h1-9,12H,10-11,18H2
InChIKeyJFBSJKJFZPHZTP-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.86
Rot. Bonds4

About [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine

[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine (PubChem CID 63152013) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
PubChem CID63152013
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H16N2S/c18-11-14-6-8-15(9-7-14)16-12-20-17(19-16)10-13-4-2-1-3-5-13/h1-9,12H,10-11,18H2
InChIKeyJFBSJKJFZPHZTP-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine 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

[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817066
2-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817296
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol
CID 22932379

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine (CID 63152013) is [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine is NCc1ccc(-c2csc(Cc3ccccc3)n2)cc1.
What is the InChIKey of [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
The InChIKey is JFBSJKJFZPHZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c18-11-14-6-8-15(9-7-14)16-12-20-17(19-16)10-13-4-2-1-3-5-13/h1-9,12H,10-11,18H2.
What are the key properties of [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine has a molecular weight of 280.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 63152013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).