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

C15H20N2OS — CID 55170907

IUPAC1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1scnc1C
InChIInChI=1S/C15H20N2OS/c1-11(16-9-15-12(2)17-10-19-15)8-13-6-4-5-7-14(13)18-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyWEFWVBXWJWKSIO-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.18
Rot. Bonds6

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

1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 55170907) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID55170907
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1scnc1C
InChIInChI=1S/C15H20N2OS/c1-11(16-9-15-12(2)17-10-19-15)8-13-6-4-5-7-14(13)18-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyWEFWVBXWJWKSIO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 61285032
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895370
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111281214
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115653493
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280036

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 55170907) is 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is COc1ccccc1CC(C)NCc1scnc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is WEFWVBXWJWKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(16-9-15-12(2)17-10-19-15)8-13-6-4-5-7-14(13)18-3/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 55170907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).