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

C17H16N2S — CID 63152526

IUPAC[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1cccc(-c2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C17H16N2S/c18-11-14-7-4-8-15(9-14)16-12-20-17(19-16)10-13-5-2-1-3-6-13/h1-9,12H,10-11,18H2
InChIKeyGXBAMLVPQXIGNO-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.86
Rot. Bonds4

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

[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine (PubChem CID 63152526) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
PubChem CID63152526
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1cccc(-c2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C17H16N2S/c18-11-14-7-4-8-15(9-14)16-12-20-17(19-16)10-13-5-2-1-3-6-13/h1-9,12H,10-11,18H2
InChIKeyGXBAMLVPQXIGNO-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

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Related Compounds

[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
CID 102929160
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
4-(2-benzyl-1,3-thiazol-4-yl)-2,6-dichlorophenol
CID 22932379
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82154926
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203

Frequently Asked Questions

What is the IUPAC name of [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine (CID 63152526) is [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine is NCc1cccc(-c2csc(Cc3ccccc3)n2)c1.
What is the InChIKey of [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
The InChIKey is GXBAMLVPQXIGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c18-11-14-7-4-8-15(9-14)16-12-20-17(19-16)10-13-5-2-1-3-6-13/h1-9,12H,10-11,18H2.
What are the key properties of [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine?
[3-(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 [3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 63152526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).