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

C13H15FN2S — CID 39353020

IUPAC2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1cc(-c2nc(CCN)sc2C)ccc1F
InChIInChI=1S/C13H15FN2S/c1-8-7-10(3-4-11(8)14)13-9(2)17-12(16-13)5-6-15/h3-4,7H,5-6,15H2,1-2H3
InChIKeyICOMNCIHTCDHPW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.07
Rot. Bonds3

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

2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 39353020) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID39353020
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1cc(-c2nc(CCN)sc2C)ccc1F
InChIInChI=1S/C13H15FN2S/c1-8-7-10(3-4-11(8)14)13-9(2)17-12(16-13)5-6-15/h3-4,7H,5-6,15H2,1-2H3
InChIKeyICOMNCIHTCDHPW-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
CID 62122450
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 82045060
2-(chloromethyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole
CID 116867883
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
CID 82391992
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163851
2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 79831802
N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103043

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine (CID 39353020) is 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine is Cc1cc(-c2nc(CCN)sc2C)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ICOMNCIHTCDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8-7-10(3-4-11(8)14)13-9(2)17-12(16-13)5-6-15/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 39353020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).