N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline

C23H16ClF3N2OS — CID 168583771

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C23H16ClF3N2OS/c24-22-29-14-19(31-22)13-28-20-12-17(23(25,26)27)8-11-21(20)30-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14,28H,13H2
InChIKeyAIZRIHWXDTWXEJ-UHFFFAOYSA-N
MW460.91 g/mol
LogP7.89
Rot. Bonds6

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline (PubChem CID 168583771) has the molecular formula C23H16ClF3N2OS and a molecular weight of 460.91 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
PubChem CID168583771
Molecular FormulaC23H16ClF3N2OS
Molecular Weight460.91 g/mol
Exact Mass460.06
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C23H16ClF3N2OS/c24-22-29-14-19(31-22)13-28-20-12-17(23(25,26)27)8-11-21(20)30-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14,28H,13H2
InChIKeyAIZRIHWXDTWXEJ-UHFFFAOYSA-N
XLogP7.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.91
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline
CID 168580972
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(furan-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 168582100
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 168583199
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]aniline
CID 168583225
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
CID 168582121
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]formamide
CID 168654060
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]aniline
CID 168580785
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 16761301
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-bis(trifluoromethyl)aniline
CID 168581232
tert-butyl N-[2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 168579926
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline (CID 168583771) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is AIZRIHWXDTWXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2OS/c24-22-29-14-19(31-22)13-28-20-12-17(23(25,26)27)8-11-21(20)30-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12,14,28H,13H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 460.91 g/mol, XLogP of 7.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 168583771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).