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

C13H15FN2S — CID 43670116

IUPAC3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-8-4-5-11(6-12(8)14)15-9(2)13-7-17-10(3)16-13/h4-7,9,15H,1-3H3
InChIKeyRUPLGAFLVHXGTF-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.07
Rot. Bonds3

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

3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43670116) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43670116
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-8-4-5-11(6-12(8)14)15-9(2)13-7-17-10(3)16-13/h4-7,9,15H,1-3H3
InChIKeyRUPLGAFLVHXGTF-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 43717563
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
2,2-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxol-5-amine
CID 43676344
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43670116) is 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is Cc1nc(C(C)Nc2ccc(C)c(F)c2)cs1.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is RUPLGAFLVHXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8-4-5-11(6-12(8)14)15-9(2)13-7-17-10(3)16-13/h4-7,9,15H,1-3H3.
What are the key properties of 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43670116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).