4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C12H13F2N3S — CID 63076116

IUPAC4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C12H13F2N3S/c1-17(5-9-6-18-7-16-9)12-10(13)2-8(4-15)3-11(12)14/h2-3,6-7H,4-5,15H2,1H3
InChIKeyYLTYGZMELOOELO-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.52
Rot. Bonds4

About 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 63076116) has the molecular formula C12H13F2N3S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID63076116
Molecular FormulaC12H13F2N3S
Molecular Weight269.32 g/mol
Exact Mass269.08
IUPAC Name4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C12H13F2N3S/c1-17(5-9-6-18-7-16-9)12-10(13)2-8(4-15)3-11(12)14/h2-3,6-7H,4-5,15H2,1H3
InChIKeyYLTYGZMELOOELO-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63785847
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837489
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol
CID 106529830
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 63787345
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63072263
[3-chloro-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]methanamine
CID 102662887
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 78935356
1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 47014021

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 63076116) is 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is CN(Cc1cscn1)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is YLTYGZMELOOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S/c1-17(5-9-6-18-7-16-9)12-10(13)2-8(4-15)3-11(12)14/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 269.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 63076116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).