N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

C11H13N7O3S2 — CID 121256395

IUPACN-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(OC2CN(c3nnc(NC(C)=O)s3)C2)s1
InChIInChI=1S/C11H13N7O3S2/c1-5(19)12-8-14-16-10(22-8)18-3-7(4-18)21-11-17-15-9(23-11)13-6(2)20/h7H,3-4H2,1-2H3,(H,12,14,19)(H,13,15,20)
InChIKeyKNADDLYVLSXGIB-UHFFFAOYSA-N
MW355.41 g/mol
LogP0.57
Rot. Bonds5

About N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 121256395) has the molecular formula C11H13N7O3S2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID121256395
Molecular FormulaC11H13N7O3S2
Molecular Weight355.41 g/mol
Exact Mass355.05
IUPAC NameN-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(OC2CN(c3nnc(NC(C)=O)s3)C2)s1
InChIInChI=1S/C11H13N7O3S2/c1-5(19)12-8-14-16-10(22-8)18-3-7(4-18)21-11-17-15-9(23-11)13-6(2)20/h7H,3-4H2,1-2H3,(H,12,14,19)(H,13,15,20)
InChIKeyKNADDLYVLSXGIB-UHFFFAOYSA-N
XLogP0.57
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 121256395) is N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(OC2CN(c3nnc(NC(C)=O)s3)C2)s1.
What is the InChIKey of N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KNADDLYVLSXGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O3S2/c1-5(19)12-8-14-16-10(22-8)18-3-7(4-18)21-11-17-15-9(23-11)13-6(2)20/h7H,3-4H2,1-2H3,(H,12,14,19)(H,13,15,20).
What are the key properties of N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 121256395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).