1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C13H15FN2S — CID 113356209

IUPAC1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(F)cc1CNCc1scnc1C
InChIInChI=1S/C13H15FN2S/c1-9-3-4-12(14)5-11(9)6-15-7-13-10(2)16-8-17-13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyDNYZLAKZFBAGOY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.19
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 113356209) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID113356209
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(F)cc1CNCc1scnc1C
InChIInChI=1S/C13H15FN2S/c1-9-3-4-12(14)5-11(9)6-15-7-13-10(2)16-8-17-13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyDNYZLAKZFBAGOY-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 103698709
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55237246
4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(propylaminomethyl)aniline
CID 63837145
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111903389
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 111466873
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64988354
N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069766
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 113356209) is 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ccc(F)cc1CNCc1scnc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is DNYZLAKZFBAGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9-3-4-12(14)5-11(9)6-15-7-13-10(2)16-8-17-13/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 113356209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).