N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide

C11H12N2O3S — CID 89289482

IUPACN-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(C)C(c2ccc(C=O)o2)S1
InChIInChI=1S/C11H12N2O3S/c1-6-10(9-4-3-8(5-14)16-9)17-11(12-6)13-7(2)15/h3-6,10H,1-2H3,(H,12,13,15)
InChIKeyUDXZDNDGRFGYIZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.76
Rot. Bonds2

About N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide

N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide (PubChem CID 89289482) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
PubChem CID89289482
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(C)C(c2ccc(C=O)o2)S1
InChIInChI=1S/C11H12N2O3S/c1-6-10(9-4-3-8(5-14)16-9)17-11(12-6)13-7(2)15/h3-6,10H,1-2H3,(H,12,13,15)
InChIKeyUDXZDNDGRFGYIZ-UHFFFAOYSA-N
XLogP1.76
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide (CID 89289482) is N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=NC(C)C(c2ccc(C=O)o2)S1.
What is the InChIKey of N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The InChIKey is UDXZDNDGRFGYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6-10(9-4-3-8(5-14)16-9)17-11(12-6)13-7(2)15/h3-6,10H,1-2H3,(H,12,13,15).
What are the key properties of N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-formylfuran-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 89289482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).