N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C25H23FN2OS — CID 141339180

IUPACN-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2nccs2)cc1
InChIInChI=1S/C25H23FN2OS/c26-23-10-6-20(7-11-23)16-28(18-25-27-14-15-30-25)17-21-8-12-24(13-9-21)29-19-22-4-2-1-3-5-22/h1-15H,16-19H2
InChIKeyQXFOWRBIVGJFQF-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.06
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 141339180) has the molecular formula C25H23FN2OS and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID141339180
Molecular FormulaC25H23FN2OS
Molecular Weight418.54 g/mol
Exact Mass418.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2nccs2)cc1
InChIInChI=1S/C25H23FN2OS/c26-23-10-6-20(7-11-23)16-28(18-25-27-14-15-30-25)17-21-8-12-24(13-9-21)29-19-22-4-2-1-3-5-22/h1-15H,16-19H2
InChIKeyQXFOWRBIVGJFQF-UHFFFAOYSA-N
XLogP6.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46997406
[4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 162218063
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N-butyl-2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42665364
2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 4047993
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
1-[2-[[(4-phenylmethoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]ethanone
CID 118067488
[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
CID 118067597
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
2-(2-phenylmethoxyethyl)-1,3-thiazole
CID 131048926
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylpropanamide
CID 35672557

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 141339180) is N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1ccc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2nccs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is QXFOWRBIVGJFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2OS/c26-23-10-6-20(7-11-23)16-28(18-25-27-14-15-30-25)17-21-8-12-24(13-9-21)29-19-22-4-2-1-3-5-22/h1-15H,16-19H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 418.54 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 141339180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).