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

C24H22N2OS — CID 72706125

IUPAC5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C24H22N2OS/c1-27-21-14-12-19(13-15-21)17-25-24-26-23(20-10-6-3-7-11-20)22(28-24)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,25,26)
InChIKeySTBSXOSAZIAOLP-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.02
Rot. Bonds7

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

5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 72706125) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID72706125
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C24H22N2OS/c1-27-21-14-12-19(13-15-21)17-25-24-26-23(20-10-6-3-7-11-20)22(28-24)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,25,26)
InChIKeySTBSXOSAZIAOLP-UHFFFAOYSA-N
XLogP6.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (CID 72706125) is 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3ccccc3)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is STBSXOSAZIAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-27-21-14-12-19(13-15-21)17-25-24-26-23(20-10-6-3-7-11-20)22(28-24)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,25,26).
What are the key properties of 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 386.52 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 72706125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).