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

C11H7BrClF3N2S — CID 168581795

IUPAC5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H7BrClF3N2S/c12-6-1-2-8(11(14,15)16)9(3-6)17-4-7-5-18-10(13)19-7/h1-3,5,17H,4H2
InChIKeyBHNKGMDJPCNJAX-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.19
Rot. Bonds3

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

5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 168581795) has the molecular formula C11H7BrClF3N2S and a molecular weight of 371.61 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID168581795
Molecular FormulaC11H7BrClF3N2S
Molecular Weight371.61 g/mol
Exact Mass369.92
IUPAC Name5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H7BrClF3N2S/c12-6-1-2-8(11(14,15)16)9(3-6)17-4-7-5-18-10(13)19-7/h1-3,5,17H,4H2
InChIKeyBHNKGMDJPCNJAX-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-bis(trifluoromethyl)aniline
CID 168581232
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-iodo-5-(trifluoromethyl)aniline
CID 168583999
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]aniline
CID 168580785
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-iodo-3-(trifluoromethyl)aniline
CID 168582660
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-6-(trifluoromethyl)aniline
CID 168582613
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184328
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 168583199
1-[5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]ethanone
CID 168582868
5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 107286240
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 168583195
5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286219
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,4-difluoro-3-(trifluoromethyl)aniline
CID 168580126

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline (CID 168581795) is 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Br)cc1NCc1cnc(Cl)s1.
What is the InChIKey of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is BHNKGMDJPCNJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N2S/c12-6-1-2-8(11(14,15)16)9(3-6)17-4-7-5-18-10(13)19-7/h1-3,5,17H,4H2.
What are the key properties of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 371.61 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 168581795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).