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

C26H26N2O3S — CID 72707053

IUPAC5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3cc(OC)ccc3OC)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C26H26N2O3S/c1-29-20-11-9-19(10-12-20)17-27-26-28-25(22-16-21(30-2)13-14-23(22)31-3)24(32-26)15-18-7-5-4-6-8-18/h4-14,16H,15,17H2,1-3H3,(H,27,28)
InChIKeyVLQKCUZWAUHZTG-UHFFFAOYSA-N
MW446.57 g/mol
LogP6.04
Rot. Bonds9

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

5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 72707053) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID72707053
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC Name5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3cc(OC)ccc3OC)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C26H26N2O3S/c1-29-20-11-9-19(10-12-20)17-27-26-28-25(22-16-21(30-2)13-14-23(22)31-3)24(32-26)15-18-7-5-4-6-8-18/h4-14,16H,15,17H2,1-3H3,(H,27,28)
InChIKeyVLQKCUZWAUHZTG-UHFFFAOYSA-N
XLogP6.04
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[2-[(4-methoxyphenyl)methylamino]-4-phenyl-1,3-thiazol-5-yl]methyl]benzonitrile
CID 72706185
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine
CID 72706434
N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740240
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 42738387
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate
CID 7460137
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 3054245
2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
CID 7460125
N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 72707053) is 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3cc(OC)ccc3OC)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is VLQKCUZWAUHZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-29-20-11-9-19(10-12-20)17-27-26-28-25(22-16-21(30-2)13-14-23(22)31-3)24(32-26)15-18-7-5-4-6-8-18/h4-14,16H,15,17H2,1-3H3,(H,27,28).
What are the key properties of 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 446.57 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72707053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).