4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol

C25H24N2O3S — CID 72706879

IUPAC4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(-c2nc(NCc3ccc(O)c(OC)c3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-29-20-11-9-19(10-12-20)24-23(15-17-6-4-3-5-7-17)31-25(27-24)26-16-18-8-13-21(28)22(14-18)30-2/h3-14,28H,15-16H2,1-2H3,(H,26,27)
InChIKeyHCGQSQJVXYRPIL-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.74
Rot. Bonds8

About 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol

4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol (PubChem CID 72706879) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol
PubChem CID72706879
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(-c2nc(NCc3ccc(O)c(OC)c3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-29-20-11-9-19(10-12-20)24-23(15-17-6-4-3-5-7-17)31-25(27-24)26-16-18-8-13-21(28)22(14-18)30-2/h3-14,28H,15-16H2,1-2H3,(H,26,27)
InChIKeyHCGQSQJVXYRPIL-UHFFFAOYSA-N
XLogP5.74
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol 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

Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
CID 956331
5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53380487
5-(4-Methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387889
5-(4-Ethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387890
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387892
5-(4-ethoxyphenyl)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 71461486
4-[5-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]pentyl]-2-methoxyphenol
CID 155522454
4-[6-[(2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]hexyl]-2-methoxyphenol
CID 155547737
N~2~-[2-(3,4-dimethoxyphenyl)ethyl]-4'-methyl-4,5'-bi-1,3-thiazole-2,2'-diamine
CID 1108286
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol (CID 72706879) is 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol is COc1ccc(-c2nc(NCc3ccc(O)c(OC)c3)sc2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol?
The InChIKey is HCGQSQJVXYRPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-29-20-11-9-19(10-12-20)24-23(15-17-6-4-3-5-7-17)31-25(27-24)26-16-18-8-13-21(28)22(14-18)30-2/h3-14,28H,15-16H2,1-2H3,(H,26,27).
What are the key properties of 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol?
4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol has a molecular weight of 432.55 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-benzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 72706879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).