N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine

C22H16F3N3OS — CID 177379300

IUPACN-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1
InChIInChI=1S/C22H16F3N3OS/c23-22(24,25)20-11-8-16(12-27-20)26-13-19-14-28-21(30-19)15-6-9-18(10-7-15)29-17-4-2-1-3-5-17/h1-12,14,26H,13H2
InChIKeyLCOCJPSPHAYXLD-UHFFFAOYSA-N
MW427.45 g/mol
LogP6.63
Rot. Bonds6

About N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine

N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 177379300) has the molecular formula C22H16F3N3OS and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID177379300
Molecular FormulaC22H16F3N3OS
Molecular Weight427.45 g/mol
Exact Mass427.10
IUPAC NameN-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1
InChIInChI=1S/C22H16F3N3OS/c23-22(24,25)20-11-8-16(12-27-20)26-13-19-14-28-21(30-19)15-6-9-18(10-7-15)29-17-4-2-1-3-5-17/h1-12,14,26H,13H2
InChIKeyLCOCJPSPHAYXLD-UHFFFAOYSA-N
XLogP6.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole
CID 177379297
N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82794611
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethoxy)aniline
CID 168583829
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835
5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 29089008
N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811102
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
CID 168583771
4-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 82795240
[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
CID 82811906
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]aniline
CID 168583225
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810952
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(trifluoromethoxy)aniline
CID 168579556

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine (CID 177379300) is N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine is FC(F)(F)c1ccc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)cn1.
What is the InChIKey of N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is LCOCJPSPHAYXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3OS/c23-22(24,25)20-11-8-16(12-27-20)26-13-19-14-28-21(30-19)15-6-9-18(10-7-15)29-17-4-2-1-3-5-17/h1-12,14,26H,13H2.
What are the key properties of N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 427.45 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 177379300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).