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

C25H24N2O2S — CID 72706187

IUPAC5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)c(Cc3ccccc3OC)s2)cc1
InChIInChI=1S/C25H24N2O2S/c1-28-21-14-12-18(13-15-21)17-26-25-27-24(19-8-4-3-5-9-19)23(30-25)16-20-10-6-7-11-22(20)29-2/h3-15H,16-17H2,1-2H3,(H,26,27)
InChIKeyYSISLDQCECNGHT-UHFFFAOYSA-N
MW416.55 g/mol
LogP6.03
Rot. Bonds8

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

5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 72706187) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID72706187
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)c(Cc3ccccc3OC)s2)cc1
InChIInChI=1S/C25H24N2O2S/c1-28-21-14-12-18(13-15-21)17-26-25-27-24(19-8-4-3-5-9-19)23(30-25)16-20-10-6-7-11-22(20)29-2/h3-15H,16-17H2,1-2H3,(H,26,27)
InChIKeyYSISLDQCECNGHT-UHFFFAOYSA-N
XLogP6.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Abafungin
CID 159326
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
5-(4-ethoxyphenyl)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 71461486
4-(4-methoxy-3-methylphenyl)-N-(6-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 751820
5-Methyl-4-(4-phenoxy-phenyl)-thiazol-2-ylamine
CID 828522
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 973153
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
CID 2443333
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 2620735
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (CID 72706187) is 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3ccccc3)c(Cc3ccccc3OC)s2)cc1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YSISLDQCECNGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-28-21-14-12-18(13-15-21)17-26-25-27-24(19-8-4-3-5-9-19)23(30-25)16-20-10-6-7-11-22(20)29-2/h3-15H,16-17H2,1-2H3,(H,26,27).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 416.55 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 72706187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).