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

C21H24N2OS — CID 78825211

IUPAC1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCC(NCc1csc(-c2ccc(C)cc2)n1)c1ccc(OC)cc1
InChIInChI=1S/C21H24N2OS/c1-4-20(16-9-11-19(24-3)12-10-16)22-13-18-14-25-21(23-18)17-7-5-15(2)6-8-17/h5-12,14,20,22H,4,13H2,1-3H3
InChIKeyPZAOSWGYFMJDDK-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.37
Rot. Bonds7

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

1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 78825211) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID78825211
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCC(NCc1csc(-c2ccc(C)cc2)n1)c1ccc(OC)cc1
InChIInChI=1S/C21H24N2OS/c1-4-20(16-9-11-19(24-3)12-10-16)22-13-18-14-25-21(23-18)17-7-5-15(2)6-8-17/h5-12,14,20,22H,4,13H2,1-3H3
InChIKeyPZAOSWGYFMJDDK-UHFFFAOYSA-N
XLogP5.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 78825211) is 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCC(NCc1csc(-c2ccc(C)cc2)n1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is PZAOSWGYFMJDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-4-20(16-9-11-19(24-3)12-10-16)22-13-18-14-25-21(23-18)17-7-5-15(2)6-8-17/h5-12,14,20,22H,4,13H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
1-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 352.50 g/mol, XLogP of 5.37, 7 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-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 78825211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).