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

C12H13FN2S — CID 105015089

IUPAC1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2nccs2)c(F)c1
InChIInChI=1S/C12H13FN2S/c1-8-2-3-9(10(13)6-8)11(14)7-12-15-4-5-16-12/h2-6,11H,7,14H2,1H3
InChIKeyCKCYFRFTLFDUSY-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.83
Rot. Bonds3

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

1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015089) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015089
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2nccs2)c(F)c1
InChIInChI=1S/C12H13FN2S/c1-8-2-3-9(10(13)6-8)11(14)7-12-15-4-5-16-12/h2-6,11H,7,14H2,1H3
InChIKeyCKCYFRFTLFDUSY-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 114894483
1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105014989
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 130594678
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 131289236
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 105015089) is 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is Cc1ccc(C(N)Cc2nccs2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is CKCYFRFTLFDUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-2-3-9(10(13)6-8)11(14)7-12-15-4-5-16-12/h2-6,11H,7,14H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 236.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).