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

C13H16FN3S — CID 62436403

IUPAC4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCNCc1nc(CN(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H16FN3S/c1-15-7-13-16-11(9-18-13)8-17(2)12-5-3-10(14)4-6-12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyDMDSMWZKHHKECU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.64
Rot. Bonds5

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

4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 62436403) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID62436403
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCNCc1nc(CN(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H16FN3S/c1-15-7-13-16-11(9-18-13)8-17(2)12-5-3-10(14)4-6-12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyDMDSMWZKHHKECU-UHFFFAOYSA-N
XLogP2.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62429443
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62412253
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
CID 62439248
N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139
N,2-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62420743
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine
CID 81068191
1-cyclohexyl-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 62411662
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665890
2-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62462653

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline (CID 62436403) is 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline is CNCc1nc(CN(C)c2ccc(F)cc2)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is DMDSMWZKHHKECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-15-7-13-16-11(9-18-13)8-17(2)12-5-3-10(14)4-6-12/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 265.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 62436403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).