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

C13H15FN2S — CID 79154491

IUPAC2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C)c(CCN)s2)c(F)c1
InChIInChI=1S/C13H15FN2S/c1-8-3-4-10(11(14)7-8)13-16-9(2)12(17-13)5-6-15/h3-4,7H,5-6,15H2,1-2H3
InChIKeyHSTXTEHIOVZBCP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.07
Rot. Bonds3

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

2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 79154491) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID79154491
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C)c(CCN)s2)c(F)c1
InChIInChI=1S/C13H15FN2S/c1-8-3-4-10(11(14)7-8)13-16-9(2)12(17-13)5-6-15/h3-4,7H,5-6,15H2,1-2H3
InChIKeyHSTXTEHIOVZBCP-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

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Related Compounds

3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
2-Methyl-4,5-diphenylthiazole
CID 77365
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
4-Phenyl-2-thiazoleethanamine
CID 1497794
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
(2-Phenyl-1,3-thiazol-4-yl)methanamine
CID 736526
4-(4-Fluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 1229841
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
5-({[(Ethylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581921
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone oxime
CID 9581906
2-[(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 53258073
2-[(E)-1-[2-(4-cyclohexylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221280

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 79154491) is 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1ccc(-c2nc(C)c(CCN)s2)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HSTXTEHIOVZBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8-3-4-10(11(14)7-8)13-16-9(2)12(17-13)5-6-15/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-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-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79154491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).