N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C15H13N3O2S2 — CID 838732

IUPACN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C15H13N3O2S2/c19-13(9-12-7-4-8-21-12)16-15-18-17-14(22-15)10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19)
InChIKeyKUFCKILKPQBOCR-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.36
Rot. Bonds6

About N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 838732) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID838732
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C15H13N3O2S2/c19-13(9-12-7-4-8-21-12)16-15-18-17-14(22-15)10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19)
InChIKeyKUFCKILKPQBOCR-UHFFFAOYSA-N
XLogP3.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide 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-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 838732) is N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(COc2ccccc2)s1.
What is the InChIKey of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is KUFCKILKPQBOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-13(9-12-7-4-8-21-12)16-15-18-17-14(22-15)10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19).
What are the key properties of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 838732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).