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

C15H19ClN2OS — CID 62542963

IUPACN-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)c(C)s1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10-11(2)20-15(18-10)14(17-8-9-19-3)12-6-4-5-7-13(12)16/h4-7,14,17H,8-9H2,1-3H3
InChIKeyIMUXCKJVZJIXEX-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.74
Rot. Bonds6

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

N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62542963) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID62542963
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)c(C)s1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10-11(2)20-15(18-10)14(17-8-9-19-3)12-6-4-5-7-13(12)16/h4-7,14,17H,8-9H2,1-3H3
InChIKeyIMUXCKJVZJIXEX-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.74
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-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919
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)-2-phenylpropan-1-amine
CID 62544596
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62544757
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 55156590
1-(2,6-dichlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331729
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
(1S)-1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81378017
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334031
N-[(2-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115800915
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 63667756

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 62542963) is N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc(C)c(C)s1)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is IMUXCKJVZJIXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10-11(2)20-15(18-10)14(17-8-9-19-3)12-6-4-5-7-13(12)16/h4-7,14,17H,8-9H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 310.85 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62542963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).