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

C21H14ClF3N2OS — CID 168580972

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Oc2ccc3ccccc3c2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C21H14ClF3N2OS/c22-20-27-12-17(29-20)11-26-18-10-15(21(23,24)25)6-8-19(18)28-16-7-5-13-3-1-2-4-14(13)9-16/h1-10,12,26H,11H2
InChIKeyJUAMZJFWSSFDFF-UHFFFAOYSA-N
MW434.87 g/mol
LogP7.37
Rot. Bonds5

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline (PubChem CID 168580972) has the molecular formula C21H14ClF3N2OS and a molecular weight of 434.87 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline
PubChem CID168580972
Molecular FormulaC21H14ClF3N2OS
Molecular Weight434.87 g/mol
Exact Mass434.05
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Oc2ccc3ccccc3c2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C21H14ClF3N2OS/c22-20-27-12-17(29-20)11-26-18-10-15(21(23,24)25)6-8-19(18)28-16-7-5-13-3-1-2-4-14(13)9-16/h1-10,12,26H,11H2
InChIKeyJUAMZJFWSSFDFF-UHFFFAOYSA-N
XLogP7.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.87
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
CID 168583771
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]-2-(3-methylphenoxy)aniline
CID 168583963
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]aniline
CID 168583225
tert-butyl N-[2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 168579926
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]aniline
CID 168580785
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-bis(trifluoromethyl)aniline
CID 168581232
4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline
CID 168582426
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-(2,2,2-trifluoroethoxy)aniline
CID 168581583
4-methyl-N-[2-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169373057

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline (CID 168580972) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Oc2ccc3ccccc3c2)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline?
The InChIKey is JUAMZJFWSSFDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2OS/c22-20-27-12-17(29-20)11-26-18-10-15(21(23,24)25)6-8-19(18)28-16-7-5-13-3-1-2-4-14(13)9-16/h1-10,12,26H,11H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline has a molecular weight of 434.87 g/mol, XLogP of 7.37, 5 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-naphthalen-2-yloxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 168580972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).