5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

C21H15N3O3S — CID 2594608

IUPAC5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)o2)cc1
InChIInChI=1S/C21H15N3O3S/c1-13(25)14-5-7-15(8-6-14)18-9-10-19(27-18)20(26)24-21-23-17(12-28-21)16-4-2-3-11-22-16/h2-12H,1H3,(H,23,24,26)
InChIKeyLEQMFNBRSQWLGA-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.92
Rot. Bonds5

About 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2594608) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2594608
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC Name5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)o2)cc1
InChIInChI=1S/C21H15N3O3S/c1-13(25)14-5-7-15(8-6-14)18-9-10-19(27-18)20(26)24-21-23-17(12-28-21)16-4-2-3-11-22-16/h2-12H,1H3,(H,23,24,26)
InChIKeyLEQMFNBRSQWLGA-UHFFFAOYSA-N
XLogP4.92
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 2594608) is 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is LEQMFNBRSQWLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-13(25)14-5-7-15(8-6-14)18-9-10-19(27-18)20(26)24-21-23-17(12-28-21)16-4-2-3-11-22-16/h2-12H,1H3,(H,23,24,26).
What are the key properties of 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2594608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).