2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

C21H18N4O3S — CID 55765870

IUPAC2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3ccccc3-c3noc(C)n3)cs2)cc1
InChIInChI=1S/C21H18N4O3S/c1-3-27-15-10-8-14(9-11-15)21-24-18(12-29-21)20(26)23-17-7-5-4-6-16(17)19-22-13(2)28-25-19/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyHKHNSBQTGXBERN-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.82
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55765870) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55765870
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3ccccc3-c3noc(C)n3)cs2)cc1
InChIInChI=1S/C21H18N4O3S/c1-3-27-15-10-8-14(9-11-15)21-24-18(12-29-21)20(26)23-17-7-5-4-6-16(17)19-22-13(2)28-25-19/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyHKHNSBQTGXBERN-UHFFFAOYSA-N
XLogP4.82
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 55765870) is 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3ccccc3-c3noc(C)n3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HKHNSBQTGXBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-3-27-15-10-8-14(9-11-15)21-24-18(12-29-21)20(26)23-17-7-5-4-6-16(17)19-22-13(2)28-25-19/h4-12H,3H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55765870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).