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

C14H14ClF3N2S — CID 43093249

IUPAC2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
SMILESCc1nc(C(C)Nc2cc(C(F)(F)F)ccc2Cl)c(C)s1
InChIInChI=1S/C14H14ClF3N2S/c1-7(13-8(2)21-9(3)20-13)19-12-6-10(14(16,17)18)4-5-11(12)15/h4-7,19H,1-3H3
InChIKeyHLHBNYJGGFLBIA-UHFFFAOYSA-N
MW334.79 g/mol
LogP5.61
Rot. Bonds3

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

2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline (PubChem CID 43093249) has the molecular formula C14H14ClF3N2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
PubChem CID43093249
Molecular FormulaC14H14ClF3N2S
Molecular Weight334.79 g/mol
Exact Mass334.05
IUPAC Name2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
SMILESCc1nc(C(C)Nc2cc(C(F)(F)F)ccc2Cl)c(C)s1
InChIInChI=1S/C14H14ClF3N2S/c1-7(13-8(2)21-9(3)20-13)19-12-6-10(14(16,17)18)4-5-11(12)15/h4-7,19H,1-3H3
InChIKeyHLHBNYJGGFLBIA-UHFFFAOYSA-N
XLogP5.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.79
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43108669
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
CID 43093717
2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline
CID 63418127
3-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylaniline
CID 43105437
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 56722063
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643800
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-propan-2-ylaniline
CID 43099408
4-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-nitroaniline
CID 43686290
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867399
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110650696
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
CID 43124277
4-N-butan-2-yl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112908993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline (CID 43093249) is 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline is Cc1nc(C(C)Nc2cc(C(F)(F)F)ccc2Cl)c(C)s1.
What is the InChIKey of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is HLHBNYJGGFLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2S/c1-7(13-8(2)21-9(3)20-13)19-12-6-10(14(16,17)18)4-5-11(12)15/h4-7,19H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline?
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 334.79 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43093249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).