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

C15H19FN2O2S2 — CID 138056231

IUPACN-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCCN(Cc1csc(CS(C)(=O)=O)n1)c1cccc(C)c1F
InChIInChI=1S/C15H19FN2O2S2/c1-4-18(13-7-5-6-11(2)15(13)16)8-12-9-21-14(17-12)10-22(3,19)20/h5-7,9H,4,8,10H2,1-3H3
InChIKeyXAGNQLUOAKTVQD-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.16
Rot. Bonds6

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

N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 138056231) has the molecular formula C15H19FN2O2S2 and a molecular weight of 342.46 g/mol. Its IUPAC name is N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID138056231
Molecular FormulaC15H19FN2O2S2
Molecular Weight342.46 g/mol
Exact Mass342.09
IUPAC NameN-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCCN(Cc1csc(CS(C)(=O)=O)n1)c1cccc(C)c1F
InChIInChI=1S/C15H19FN2O2S2/c1-4-18(13-7-5-6-11(2)15(13)16)8-12-9-21-14(17-12)10-22(3,19)20/h5-7,9H,4,8,10H2,1-3H3
InChIKeyXAGNQLUOAKTVQD-UHFFFAOYSA-N
XLogP3.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylaniline
CID 71986927
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline
CID 66388652
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-3-methylaniline
CID 61104342
4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
CID 166373193
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
2-[2-[(N-ethyl-3-methylanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159567
2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 115665483
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
CID 66388647
2-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 111488137
1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine
CID 154740060

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline (CID 138056231) is N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline is CCN(Cc1csc(CS(C)(=O)=O)n1)c1cccc(C)c1F.
What is the InChIKey of N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is XAGNQLUOAKTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S2/c1-4-18(13-7-5-6-11(2)15(13)16)8-12-9-21-14(17-12)10-22(3,19)20/h5-7,9H,4,8,10H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline?
N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 342.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 138056231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).