2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine

C18H16ClFN2S — CID 53272301

IUPAC2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccccc1-c1cnc(CNCCc2cccc(Cl)c2)s1
InChIInChI=1S/C18H16ClFN2S/c19-14-5-3-4-13(10-14)8-9-21-12-18-22-11-17(23-18)15-6-1-2-7-16(15)20/h1-7,10-11,21H,8-9,12H2
InChIKeyZSZVUOPYWBSETA-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.93
Rot. Bonds6

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

2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53272301) has the molecular formula C18H16ClFN2S and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53272301
Molecular FormulaC18H16ClFN2S
Molecular Weight346.86 g/mol
Exact Mass346.07
IUPAC Name2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccccc1-c1cnc(CNCCc2cccc(Cl)c2)s1
InChIInChI=1S/C18H16ClFN2S/c19-14-5-3-4-13(10-14)8-9-21-12-18-22-11-17(23-18)15-6-1-2-7-16(15)20/h1-7,10-11,21H,8-9,12H2
InChIKeyZSZVUOPYWBSETA-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]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-chlorophenyl)-N-[[5-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272277
2-(3-chlorophenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272031
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271498
N-[[5-(2-chloro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-(3-fluorophenyl)ethanamine
CID 53273220
2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271932
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271520
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272678
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511
2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272225
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271610

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53272301) is 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is Fc1ccccc1-c1cnc(CNCCc2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is ZSZVUOPYWBSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2S/c19-14-5-3-4-13(10-14)8-9-21-12-18-22-11-17(23-18)15-6-1-2-7-16(15)20/h1-7,10-11,21H,8-9,12H2.
What are the key properties of 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 346.86 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53272301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).