3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

C13H15FN2S — CID 75450170

IUPAC3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(CCNc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-9-3-4-11(7-13(9)14)15-6-5-12-8-17-10(2)16-12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyONHCXUPPQAHPFK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.55
Rot. Bonds4

About 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 75450170) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID75450170
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(CCNc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-9-3-4-11(7-13(9)14)15-6-5-12-8-17-10(2)16-12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyONHCXUPPQAHPFK-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 75450170) is 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is Cc1nc(CCNc2ccc(C)c(F)c2)cs1.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is ONHCXUPPQAHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9-3-4-11(7-13(9)14)15-6-5-12-8-17-10(2)16-12/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 75450170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).