N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide

C10H11N3O3S — CID 3676154

IUPACN-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccco2)S1
InChIInChI=1S/C10H11N3O3S/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14)
InChIKeyMFNIKJVCTDXGKB-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.28
Rot. Bonds1

About N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 3676154) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID3676154
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccco2)S1
InChIInChI=1S/C10H11N3O3S/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14)
InChIKeyMFNIKJVCTDXGKB-UHFFFAOYSA-N
XLogP1.28
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 3676154) is N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccco2)S1.
What is the InChIKey of N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is MFNIKJVCTDXGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14).
What are the key properties of N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 253.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-(furan-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 3676154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).