N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide

C17H15N3O3S — CID 2441068

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1
InChIInChI=1S/C17H15N3O3S/c1-10-3-8-15(23-10)16(22)20-17-19-14(9-24-17)12-4-6-13(7-5-12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyNJTJAIXFDRJDCY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (PubChem CID 2441068) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
PubChem CID2441068
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1
InChIInChI=1S/C17H15N3O3S/c1-10-3-8-15(23-10)16(22)20-17-19-14(9-24-17)12-4-6-13(7-5-12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyNJTJAIXFDRJDCY-UHFFFAOYSA-N
XLogP3.92
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (CID 2441068) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The InChIKey is NJTJAIXFDRJDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-10-3-8-15(23-10)16(22)20-17-19-14(9-24-17)12-4-6-13(7-5-12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2441068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).