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

C15H18Cl2N2OS — CID 62544919

IUPACN-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1ccc(Cl)c(Cl)c1)c1nc(C)c(C)s1
InChIInChI=1S/C15H18Cl2N2OS/c1-9-10(2)21-15(19-9)14(18-6-7-20-3)11-4-5-12(16)13(17)8-11/h4-5,8,14,18H,6-7H2,1-3H3
InChIKeyVRPMJILFQRJADR-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.39
Rot. Bonds6

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

N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62544919) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID62544919
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC NameN-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1ccc(Cl)c(Cl)c1)c1nc(C)c(C)s1
InChIInChI=1S/C15H18Cl2N2OS/c1-9-10(2)21-15(19-9)14(18-6-7-20-3)11-4-5-12(16)13(17)8-11/h4-5,8,14,18H,6-7H2,1-3H3
InChIKeyVRPMJILFQRJADR-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.39
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

N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542963
N-[(3-chloro-4-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 81154611
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62544757
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluoro-2-methylphenyl)methyl]-2-methoxyethanamine
CID 62543631
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 55156590
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine
CID 62544596
N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 81155173
2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543484
1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82315777
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline
CID 61331388
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 62544919) is N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1ccc(Cl)c(Cl)c1)c1nc(C)c(C)s1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is VRPMJILFQRJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2OS/c1-9-10(2)21-15(19-9)14(18-6-7-20-3)11-4-5-12(16)13(17)8-11/h4-5,8,14,18H,6-7H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 345.30 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62544919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).