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

C26H26N2O2S — CID 72706311

IUPAC5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C26H26N2O2S/c1-28(18-20-9-13-22(29-2)14-10-20)26-27-25(21-11-15-23(30-3)16-12-21)24(31-26)17-19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3
InChIKeyUXXBGTZVINLQBU-UHFFFAOYSA-N
MW430.57 g/mol
LogP6.05
Rot. Bonds8

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

5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 72706311) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID72706311
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C26H26N2O2S/c1-28(18-20-9-13-22(29-2)14-10-20)26-27-25(21-11-15-23(30-3)16-12-21)24(31-26)17-19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3
InChIKeyUXXBGTZVINLQBU-UHFFFAOYSA-N
XLogP6.05
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 72706311) is 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine is COc1ccc(CN(C)c2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UXXBGTZVINLQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-28(18-20-9-13-22(29-2)14-10-20)26-27-25(21-11-15-23(30-3)16-12-21)24(31-26)17-19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3.
What are the key properties of 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 430.57 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 72706311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).