1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine

C17H24N2OS — CID 62544596

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine
SMILESCOCCNC(c1nc(C)c(C)s1)C(C)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-12(15-8-6-5-7-9-15)16(18-10-11-20-4)17-19-13(2)14(3)21-17/h5-9,12,16,18H,10-11H2,1-4H3
InChIKeyRZWCMGIFVBCFGW-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.84
Rot. Bonds7

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine (PubChem CID 62544596) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine
PubChem CID62544596
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine
SMILESCOCCNC(c1nc(C)c(C)s1)C(C)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-12(15-8-6-5-7-9-15)16(18-10-11-20-4)17-19-13(2)14(3)21-17/h5-9,12,16,18H,10-11H2,1-4H3
InChIKeyRZWCMGIFVBCFGW-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 61334577
N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542963
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
CID 83382597
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 55156590
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
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 62541039

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine (CID 62544596) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine is COCCNC(c1nc(C)c(C)s1)C(C)c1ccccc1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine?
The InChIKey is RZWCMGIFVBCFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(15-8-6-5-7-9-15)16(18-10-11-20-4)17-19-13(2)14(3)21-17/h5-9,12,16,18H,10-11H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 62544596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).