4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

C13H16FN3S — CID 115366884

IUPAC4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncsc1CN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H16FN3S/c1-9-13(18-8-16-9)7-17(2)11-4-3-10(6-15)12(14)5-11/h3-5,8H,6-7,15H2,1-2H3
InChIKeyJRCDHSOBKQAPPM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.69
Rot. Bonds4

About 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 115366884) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID115366884
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncsc1CN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H16FN3S/c1-9-13(18-8-16-9)7-17(2)11-4-3-10(6-15)12(14)5-11/h3-5,8H,6-7,15H2,1-2H3
InChIKeyJRCDHSOBKQAPPM-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837489
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539
N,3-dimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837321
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 63842762
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
CID 113295412
4,5-difluoro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 112751823
[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
CID 63837123
3-fluoro-N'-hydroxy-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarboximidamide
CID 77009486
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
3-fluoro-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63837980
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 115366884) is 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncsc1CN(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is JRCDHSOBKQAPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9-13(18-8-16-9)7-17(2)11-4-3-10(6-15)12(14)5-11/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 265.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 115366884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).