N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine

C13H15FN2S — CID 55102639

IUPACN-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-3-15-9(2)12-8-16-13(17-12)10-5-4-6-11(14)7-10/h4-9,15H,3H2,1-2H3
InChIKeyWWYOJTXNEGCSPN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.62
Rot. Bonds4

About N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 55102639) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID55102639
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-3-15-9(2)12-8-16-13(17-12)10-5-4-6-11(14)7-10/h4-9,15H,3H2,1-2H3
InChIKeyWWYOJTXNEGCSPN-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine (CID 55102639) is N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is WWYOJTXNEGCSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-15-9(2)12-8-16-13(17-12)10-5-4-6-11(14)7-10/h4-9,15H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 55102639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).