N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C13H14F2N2S — CID 55034678

IUPACN-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCNCc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2S/c1-9-13(18-8-17-9)4-5-16-7-10-2-3-11(14)12(15)6-10/h2-3,6,8,16H,4-5,7H2,1H3
InChIKeyLEODLONBQAONRW-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.06
Rot. Bonds5

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

N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 55034678) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID55034678
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCNCc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2S/c1-9-13(18-8-17-9)4-5-16-7-10-2-3-11(14)12(15)6-10/h2-3,6,8,16H,4-5,7H2,1H3
InChIKeyLEODLONBQAONRW-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-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

Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55237246
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
3,4,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809929
N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069766
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62291596
2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895634
1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718501
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 63056921
1-[4-fluoro-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 107455085
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 55034678) is N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCNCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is LEODLONBQAONRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-9-13(18-8-17-9)4-5-16-7-10-2-3-11(14)12(15)6-10/h2-3,6,8,16H,4-5,7H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 268.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 55034678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).