1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C15H19FN2S — CID 105373853

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)Cc1cc(F)ccc1C
InChIInChI=1S/C15H19FN2S/c1-10-4-5-13(16)6-12(10)7-14(17-3)8-15-9-19-11(2)18-15/h4-6,9,14,17H,7-8H2,1-3H3
InChIKeyHXYKQAMVRFVVQC-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.27
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 105373853) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID105373853
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)Cc1cc(F)ccc1C
InChIInChI=1S/C15H19FN2S/c1-10-4-5-13(16)6-12(10)7-14(17-3)8-15-9-19-11(2)18-15/h4-6,9,14,17H,7-8H2,1-3H3
InChIKeyHXYKQAMVRFVVQC-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
CID 105373668
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799514
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105159050
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62799687
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799862

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 105373853) is 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CNC(Cc1csc(C)n1)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is HXYKQAMVRFVVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-10-4-5-13(16)6-12(10)7-14(17-3)8-15-9-19-11(2)18-15/h4-6,9,14,17H,7-8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.27, 5 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-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 105373853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).