2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C12H14FN3S — CID 55012212

IUPAC2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1ccc(F)cc1CN
InChIInChI=1S/C12H14FN3S/c1-16(6-11-7-17-8-15-11)12-3-2-10(13)4-9(12)5-14/h2-4,7-8H,5-6,14H2,1H3
InChIKeyLUDZVXLGYFLOIF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds4

About 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 55012212) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID55012212
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1ccc(F)cc1CN
InChIInChI=1S/C12H14FN3S/c1-16(6-11-7-17-8-15-11)12-3-2-10(13)4-9(12)5-14/h2-4,7-8H,5-6,14H2,1H3
InChIKeyLUDZVXLGYFLOIF-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 78935356
1-[5-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]ethanol
CID 55013782
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63785847
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63072263
5-fluoro-N'-hydroxy-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76994396

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 55012212) is 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is CN(Cc1cscn1)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is LUDZVXLGYFLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-16(6-11-7-17-8-15-11)12-3-2-10(13)4-9(12)5-14/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 251.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 55012212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).