2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C19H19N3O3S — CID 46559443

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O3S/c23-18(12-15-13-26-19(21-15)17-2-1-9-25-17)20-14-3-5-16(6-4-14)22-7-10-24-11-8-22/h1-6,9,13H,7-8,10-12H2,(H,20,23)
InChIKeyKCZOXXRPAJBOER-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 46559443) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID46559443
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O3S/c23-18(12-15-13-26-19(21-15)17-2-1-9-25-17)20-14-3-5-16(6-4-14)22-7-10-24-11-8-22/h1-6,9,13H,7-8,10-12H2,(H,20,23)
InChIKeyKCZOXXRPAJBOER-UHFFFAOYSA-N
XLogP3.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 46559443) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is KCZOXXRPAJBOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-18(12-15-13-26-19(21-15)17-2-1-9-25-17)20-14-3-5-16(6-4-14)22-7-10-24-11-8-22/h1-6,9,13H,7-8,10-12H2,(H,20,23).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 46559443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).