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

C17H15Cl2N3S — CID 53272585

IUPAC2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESClc1ccc(CCNCc2ncc(-c3cccnc3)s2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3S/c18-14-4-3-12(15(19)8-14)5-7-21-11-17-22-10-16(23-17)13-2-1-6-20-9-13/h1-4,6,8-10,21H,5,7,11H2
InChIKeyXOFYWMUFSUTDEY-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.84
Rot. Bonds6

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

2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 53272585) has the molecular formula C17H15Cl2N3S and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID53272585
Molecular FormulaC17H15Cl2N3S
Molecular Weight364.30 g/mol
Exact Mass363.04
IUPAC Name2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESClc1ccc(CCNCc2ncc(-c3cccnc3)s2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3S/c18-14-4-3-12(15(19)8-14)5-7-21-11-17-22-10-16(23-17)13-2-1-6-20-9-13/h1-4,6,8-10,21H,5,7,11H2
InChIKeyXOFYWMUFSUTDEY-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271591
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329
4-[2-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272489
N-[[5-(2-chloro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53273297
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271498
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271610
1-(2,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272623
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272286
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271520

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 53272585) is 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine is Clc1ccc(CCNCc2ncc(-c3cccnc3)s2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is XOFYWMUFSUTDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3S/c18-14-4-3-12(15(19)8-14)5-7-21-11-17-22-10-16(23-17)13-2-1-6-20-9-13/h1-4,6,8-10,21H,5,7,11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 364.30 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 53272585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).