2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide

C24H25N3O4S — CID 39940519

IUPAC2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)cs2)cc1
InChIInChI=1S/C24H25N3O4S/c1-2-31-20-9-5-18(6-10-20)24-26-21(16-32-24)23(29)25-19-7-3-17(4-8-19)15-22(28)27-11-13-30-14-12-27/h3-10,16H,2,11-15H2,1H3,(H,25,29)
InChIKeyKDNDIQSWWBCGJO-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.86
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 39940519) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID39940519
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)cs2)cc1
InChIInChI=1S/C24H25N3O4S/c1-2-31-20-9-5-18(6-10-20)24-26-21(16-32-24)23(29)25-19-7-3-17(4-8-19)15-22(28)27-11-13-30-14-12-27/h3-10,16H,2,11-15H2,1H3,(H,25,29)
InChIKeyKDNDIQSWWBCGJO-UHFFFAOYSA-N
XLogP3.86
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46066040
2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78892236
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 119402790
2-(4-ethoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110428417
2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
CID 110746558
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 39940519) is 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KDNDIQSWWBCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-2-31-20-9-5-18(6-10-20)24-26-21(16-32-24)23(29)25-19-7-3-17(4-8-19)15-22(28)27-11-13-30-14-12-27/h3-10,16H,2,11-15H2,1H3,(H,25,29).
What are the key properties of 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39940519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).