2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C12H12F2N2S — CID 43763933

IUPAC2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2S/c1-7-12(17-6-15-7)8(2)16-11-4-3-9(13)5-10(11)14/h3-6,8,16H,1-2H3
InChIKeyJZIJTMRXHGUCMF-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.90
Rot. Bonds3

About 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 43763933) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID43763933
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2S/c1-7-12(17-6-15-7)8(2)16-11-4-3-9(13)5-10(11)14/h3-6,8,16H,1-2H3
InChIKeyJZIJTMRXHGUCMF-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline
CID 63751891
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 83076710
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659
4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43779859
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 114259232
(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81365857
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 43763933) is 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1C(C)Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is JZIJTMRXHGUCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-7-12(17-6-15-7)8(2)16-11-4-3-9(13)5-10(11)14/h3-6,8,16H,1-2H3.
What are the key properties of 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 254.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 43763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).