N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine

C19H18Cl2N2O2S — CID 53272157

IUPACN-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ncc(-c3c(Cl)cccc3Cl)s2)c1OC
InChIInChI=1S/C19H18Cl2N2O2S/c1-24-15-8-3-5-12(19(15)25-2)9-22-11-17-23-10-16(26-17)18-13(20)6-4-7-14(18)21/h3-8,10,22H,9,11H2,1-2H3
InChIKeyNENYNWVHUCMXLN-UHFFFAOYSA-N
MW409.34 g/mol
LogP5.42
Rot. Bonds7

About N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine

N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine (PubChem CID 53272157) has the molecular formula C19H18Cl2N2O2S and a molecular weight of 409.34 g/mol. Its IUPAC name is N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
PubChem CID53272157
Molecular FormulaC19H18Cl2N2O2S
Molecular Weight409.34 g/mol
Exact Mass408.05
IUPAC NameN-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ncc(-c3c(Cl)cccc3Cl)s2)c1OC
InChIInChI=1S/C19H18Cl2N2O2S/c1-24-15-8-3-5-12(19(15)25-2)9-22-11-17-23-10-16(26-17)18-13(20)6-4-7-14(18)21/h3-8,10,22H,9,11H2,1-2H3
InChIKeyNENYNWVHUCMXLN-UHFFFAOYSA-N
XLogP5.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.34
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 53271539
1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273482
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
1-(2-methoxyphenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273236
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
1-(2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272508
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 53271519
2-(2-chlorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273090
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 53272234
1-(3,4-dichlorophenyl)-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273171
2-(3-chlorophenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272031

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The IUPAC name of N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine (CID 53272157) is N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine is COc1cccc(CNCc2ncc(-c3c(Cl)cccc3Cl)s2)c1OC.
What is the InChIKey of N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The InChIKey is NENYNWVHUCMXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S/c1-24-15-8-3-5-12(19(15)25-2)9-22-11-17-23-10-16(26-17)18-13(20)6-4-7-14(18)21/h3-8,10,22H,9,11H2,1-2H3.
What are the key properties of N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine has a molecular weight of 409.34 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine is sourced from PubChem (CID 53272157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).