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

C14H17FN2S — CID 62800227

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cc(C)ccc1F
InChIInChI=1S/C14H17FN2S/c1-9-4-5-13(15)12(6-9)14(16-3)7-11-8-18-10(2)17-11/h4-6,8,14,16H,7H2,1-3H3
InChIKeyAAZMEKKCSLNWPW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.40
Rot. Bonds4

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

1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 62800227) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID62800227
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cc(C)ccc1F
InChIInChI=1S/C14H17FN2S/c1-9-4-5-13(15)12(6-9)14(16-3)7-11-8-18-10(2)17-11/h4-6,8,14,16H,7H2,1-3H3
InChIKeyAAZMEKKCSLNWPW-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107968485
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997235
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62798639
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 115823769
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997166
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158996

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 62800227) is 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is AAZMEKKCSLNWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9-4-5-13(15)12(6-9)14(16-3)7-11-8-18-10(2)17-11/h4-6,8,14,16H,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 62800227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).