2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine

C11H10ClFN2S — CID 102619185

IUPAC2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1cscn1
InChIInChI=1S/C11H10ClFN2S/c12-9-2-1-8(13)3-7(9)4-10(14)11-5-16-6-15-11/h1-3,5-6,10H,4,14H2
InChIKeyBEMCNFIPOVVHPC-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 102619185) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID102619185
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)c1cscn1
InChIInChI=1S/C11H10ClFN2S/c12-9-2-1-8(13)3-7(9)4-10(14)11-5-16-6-15-11/h1-3,5-6,10H,4,14H2
InChIKeyBEMCNFIPOVVHPC-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-5-fluorophenyl)-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

Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 103040328
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 102619243
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763
2-(2-chloro-5-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503345
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 102622535
2-(2-chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622687
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
1-(5-bromofuran-2-yl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622582

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine (CID 102619185) is 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine is NC(Cc1cc(F)ccc1Cl)c1cscn1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is BEMCNFIPOVVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-9-2-1-8(13)3-7(9)4-10(14)11-5-16-6-15-11/h1-3,5-6,10H,4,14H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 256.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 102619185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).