N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine

C22H17FN2S — CID 54585934

IUPACN-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C22H17FN2S/c23-19-13-11-18(12-14-19)21-15-24-22(26-21)25(20-9-5-2-6-10-20)16-17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyWFDYNFWSQKHDNI-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.29
Rot. Bonds5

About N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine

N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 54585934) has the molecular formula C22H17FN2S and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID54585934
Molecular FormulaC22H17FN2S
Molecular Weight360.46 g/mol
Exact Mass360.11
IUPAC NameN-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C22H17FN2S/c23-19-13-11-18(12-14-19)21-15-24-22(26-21)25(20-9-5-2-6-10-20)16-17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyWFDYNFWSQKHDNI-UHFFFAOYSA-N
XLogP6.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-Diphenyl-1,3-thiazol-2-amine
CID 619921
N-(4-{2-[benzyl(methyl)amino]ethyl}phenyl)-5-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 72201050
N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593310
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 71624177
1-[1-[5-[3-(Dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
CID 46907755
N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 54581035
N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine
CID 54581036
N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine
CID 54584031
N-benzyl-5-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54584978
N-(4-(2-(benzyl(methyl)amino)ethyl)phenyl)-5-(pyridin-3-yl)thiazol-2-amine hydrobromide
CID 72736243
N-benzyl-5-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54583022
N-benzyl-5-(2-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54584976

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine (CID 54585934) is N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine is Fc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is WFDYNFWSQKHDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2S/c23-19-13-11-18(12-14-19)21-15-24-22(26-21)25(20-9-5-2-6-10-20)16-17-7-3-1-4-8-17/h1-15H,16H2.
What are the key properties of N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine?
N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 360.46 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54585934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).