1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

C15H20N2OS — CID 60776811

IUPAC1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnc(C)s1)c1ccc(OC)cc1
InChIInChI=1S/C15H20N2OS/c1-4-15(12-5-7-13(18-3)8-6-12)17-10-14-9-16-11(2)19-14/h5-9,15,17H,4,10H2,1-3H3
InChIKeyITUSMXFUDGBYMA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 60776811) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID60776811
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnc(C)s1)c1ccc(OC)cc1
InChIInChI=1S/C15H20N2OS/c1-4-15(12-5-7-13(18-3)8-6-12)17-10-14-9-16-11(2)19-14/h5-9,15,17H,4,10H2,1-3H3
InChIKeyITUSMXFUDGBYMA-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183
2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 109380344
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103912826
1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 62997731
1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62748534
(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 125141739
3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
CID 84600935
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 60776811) is 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCC(NCc1cnc(C)s1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is ITUSMXFUDGBYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-15(12-5-7-13(18-3)8-6-12)17-10-14-9-16-11(2)19-14/h5-9,15,17H,4,10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 60776811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).