1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine

C13H14ClFN2S — CID 64543276

IUPAC1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C13H14ClFN2S/c1-3-16-8(2)12-7-18-13(17-12)10-6-9(14)4-5-11(10)15/h4-8,16H,3H2,1-2H3
InChIKeyQBPHPMLUZBFVTP-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.27
Rot. Bonds4

About 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine

1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64543276) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64543276
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C13H14ClFN2S/c1-3-16-8(2)12-7-18-13(17-12)10-6-9(14)4-5-11(10)15/h4-8,16H,3H2,1-2H3
InChIKeyQBPHPMLUZBFVTP-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine 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-ethyl-1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544285
N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 107931873
1-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 79427319
N-ethyl-1-[2-(2-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 107111648
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544101
1-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 114239483
N-ethyl-1-[2-(2-methyl-5-nitrophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545097
N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64542865
N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64542556
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64542685
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
CID 64558466

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64543276) is 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is QBPHPMLUZBFVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-3-16-8(2)12-7-18-13(17-12)10-6-9(14)4-5-11(10)15/h4-8,16H,3H2,1-2H3.
What are the key properties of 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 284.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64543276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).