N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine

C11H12FN3S — CID 115895297

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCc1ncccc1F)c1cscn1
InChIInChI=1S/C11H12FN3S/c1-8(11-6-16-7-15-11)14-5-10-9(12)3-2-4-13-10/h2-4,6-8,14H,5H2,1H3
InChIKeyFVYDXMMFKGGUDF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.53
Rot. Bonds4

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

N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115895297) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115895297
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCc1ncccc1F)c1cscn1
InChIInChI=1S/C11H12FN3S/c1-8(11-6-16-7-15-11)14-5-10-9(12)3-2-4-13-10/h2-4,6-8,14H,5H2,1H3
InChIKeyFVYDXMMFKGGUDF-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-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-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115895297) is N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NCc1ncccc1F)c1cscn1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is FVYDXMMFKGGUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-8(11-6-16-7-15-11)14-5-10-9(12)3-2-4-13-10/h2-4,6-8,14H,5H2,1H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115895297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).