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

C17H13Cl3N2S — CID 53271591

IUPACN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
SMILESClc1cccc(-c2cnc(CNCc3ccc(Cl)cc3Cl)s2)c1
InChIInChI=1S/C17H13Cl3N2S/c18-13-3-1-2-11(6-13)16-9-22-17(23-16)10-21-8-12-4-5-14(19)7-15(12)20/h1-7,9,21H,8,10H2
InChIKeyOATXEMRYTUROMX-UHFFFAOYSA-N
MW383.73 g/mol
LogP6.06
Rot. Bonds5

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

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine (PubChem CID 53271591) has the molecular formula C17H13Cl3N2S and a molecular weight of 383.73 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
PubChem CID53271591
Molecular FormulaC17H13Cl3N2S
Molecular Weight383.73 g/mol
Exact Mass381.99
IUPAC NameN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
SMILESClc1cccc(-c2cnc(CNCc3ccc(Cl)cc3Cl)s2)c1
InChIInChI=1S/C17H13Cl3N2S/c18-13-3-1-2-11(6-13)16-9-22-17(23-16)10-21-8-12-4-5-14(19)7-15(12)20/h1-7,9,21H,8,10H2
InChIKeyOATXEMRYTUROMX-UHFFFAOYSA-N
XLogP6.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.73
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511
1-(2,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272623
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271610
2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468
2-(2,4-dichlorophenyl)-N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272585
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]-1-(2,4-dichlorophenyl)methanamine
CID 53273297
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
4-[2-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272489
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine?
The IUPAC name of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine (CID 53271591) is N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine is Clc1cccc(-c2cnc(CNCc3ccc(Cl)cc3Cl)s2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine?
The InChIKey is OATXEMRYTUROMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2S/c18-13-3-1-2-11(6-13)16-9-22-17(23-16)10-21-8-12-4-5-14(19)7-15(12)20/h1-7,9,21H,8,10H2.
What are the key properties of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine?
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine has a molecular weight of 383.73 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 53271591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).