3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C12H14FN3S — CID 102813798

IUPAC3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1cc(F)cc(CN)c1
InChIInChI=1S/C12H14FN3S/c1-16(6-11-7-17-8-15-11)12-3-9(5-14)2-10(13)4-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyFDIKBZIACXIEDQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds4

About 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 102813798) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID102813798
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1cc(F)cc(CN)c1
InChIInChI=1S/C12H14FN3S/c1-16(6-11-7-17-8-15-11)12-3-9(5-14)2-10(13)4-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyFDIKBZIACXIEDQ-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

[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol
CID 106529830
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63785847
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 91268064
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 78935356
4-[(1R)-1-aminoethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55189964
[3-chloro-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]methanamine
CID 102662887

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 102813798) is 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is CN(Cc1cscn1)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is FDIKBZIACXIEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-16(6-11-7-17-8-15-11)12-3-9(5-14)2-10(13)4-12/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
3-(aminomethyl)-5-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 3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 102813798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).