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

C13H14F2N2S — CID 63719201

IUPACN-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2cccc(F)c2F)n1
InChIInChI=1S/C13H14F2N2S/c1-8-7-18-13(17-8)9(2)16-6-10-4-3-5-11(14)12(10)15/h3-5,7,9,16H,6H2,1-2H3
InChIKeyBRWAAXYSTNNACS-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.58
Rot. Bonds4

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

N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63719201) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63719201
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2cccc(F)c2F)n1
InChIInChI=1S/C13H14F2N2S/c1-8-7-18-13(17-8)9(2)16-6-10-4-3-5-11(14)12(10)15/h3-5,7,9,16H,6H2,1-2H3
InChIKeyBRWAAXYSTNNACS-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-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

1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 63090006
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
CID 66386414
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091936
5-methoxy-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63089655
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091931
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
N-[(1-methylindazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091933

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63719201) is N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCc2cccc(F)c2F)n1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is BRWAAXYSTNNACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8-7-18-13(17-8)9(2)16-6-10-4-3-5-11(14)12(10)15/h3-5,7,9,16H,6H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 268.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63719201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).