N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine

C25H24N2S — CID 22197508

IUPACN-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1ccccc1-c1nc(CN(Cc2ccccc2)Cc2ccccc2)cs1
InChIInChI=1S/C25H24N2S/c1-20-10-8-9-15-24(20)25-26-23(19-28-25)18-27(16-21-11-4-2-5-12-21)17-22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3
InChIKeyASJXEGCGLCAHPR-UHFFFAOYSA-N
MW384.55 g/mol
LogP6.32
Rot. Bonds7

About N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine

N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 22197508) has the molecular formula C25H24N2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID22197508
Molecular FormulaC25H24N2S
Molecular Weight384.55 g/mol
Exact Mass384.17
IUPAC NameN-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1ccccc1-c1nc(CN(Cc2ccccc2)Cc2ccccc2)cs1
InChIInChI=1S/C25H24N2S/c1-20-10-8-9-15-24(20)25-26-23(19-28-25)18-27(16-21-11-4-2-5-12-21)17-22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3
InChIKeyASJXEGCGLCAHPR-UHFFFAOYSA-N
XLogP6.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104869995
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 22196319
4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888422
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
CID 108775470
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
2-(2-methylphenyl)-4-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 17303003
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859101
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine (CID 22197508) is N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine is Cc1ccccc1-c1nc(CN(Cc2ccccc2)Cc2ccccc2)cs1.
What is the InChIKey of N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is ASJXEGCGLCAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2S/c1-20-10-8-9-15-24(20)25-26-23(19-28-25)18-27(16-21-11-4-2-5-12-21)17-22-13-6-3-7-14-22/h2-15,19H,16-18H2,1H3.
What are the key properties of N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine?
N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 384.55 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 22197508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).