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

C18H16Cl2N2S — CID 53273083

IUPAC1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1cccc(-c2cnc(CNCc3ccc(Cl)c(Cl)c3)s2)c1
InChIInChI=1S/C18H16Cl2N2S/c1-12-3-2-4-14(7-12)17-10-22-18(23-17)11-21-9-13-5-6-15(19)16(20)8-13/h2-8,10,21H,9,11H2,1H3
InChIKeyGZRUVPVNKXYLHG-UHFFFAOYSA-N
MW363.31 g/mol
LogP5.72
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53273083) has the molecular formula C18H16Cl2N2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53273083
Molecular FormulaC18H16Cl2N2S
Molecular Weight363.31 g/mol
Exact Mass362.04
IUPAC Name1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1cccc(-c2cnc(CNCc3ccc(Cl)c(Cl)c3)s2)c1
InChIInChI=1S/C18H16Cl2N2S/c1-12-3-2-4-14(7-12)17-10-22-18(23-17)11-21-9-13-5-6-15(19)16(20)8-13/h2-8,10,21H,9,11H2,1H3
InChIKeyGZRUVPVNKXYLHG-UHFFFAOYSA-N
XLogP5.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[(3,4-dichlorophenyl)methylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272345
1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272624
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53273092
N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272600
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271591
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467
1-(3,4-dichlorophenyl)-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273171
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272304
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53273083) is 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine is Cc1cccc(-c2cnc(CNCc3ccc(Cl)c(Cl)c3)s2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is GZRUVPVNKXYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2S/c1-12-3-2-4-14(7-12)17-10-22-18(23-17)11-21-9-13-5-6-15(19)16(20)8-13/h2-8,10,21H,9,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 363.31 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53273083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).