2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide

C20H20N2O5S — CID 27258642

IUPAC2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C20H20N2O5S/c1-24-14-7-5-12(6-8-14)20-22-15(11-28-20)19(23)21-13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,23)
InChIKeyURDPZYGKWFCYGV-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.10
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 27258642) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID27258642
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C20H20N2O5S/c1-24-14-7-5-12(6-8-14)20-22-15(11-28-20)19(23)21-13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,23)
InChIKeyURDPZYGKWFCYGV-UHFFFAOYSA-N
XLogP4.10
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 27258642) is 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is URDPZYGKWFCYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-24-14-7-5-12(6-8-14)20-22-15(11-28-20)19(23)21-13-9-16(25-2)18(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,23).
What are the key properties of 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27258642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).