2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide

C11H10N4O2S2 — CID 114912654

IUPAC2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1cnns1
InChIInChI=1S/C11H10N4O2S2/c12-11(18)7-3-1-2-4-8(7)17-6-9(16)14-10-5-13-15-19-10/h1-5H,6H2,(H2,12,18)(H,14,16)
InChIKeyAGRYPNJCLIOMRT-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.19
Rot. Bonds5

About 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide

2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide (PubChem CID 114912654) has the molecular formula C11H10N4O2S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
PubChem CID114912654
Molecular FormulaC11H10N4O2S2
Molecular Weight294.36 g/mol
Exact Mass294.02
IUPAC Name2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1cnns1
InChIInChI=1S/C11H10N4O2S2/c12-11(18)7-3-1-2-4-8(7)17-6-9(16)14-10-5-13-15-19-10/h1-5H,6H2,(H2,12,18)(H,14,16)
InChIKeyAGRYPNJCLIOMRT-UHFFFAOYSA-N
XLogP1.19
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-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

Related Compounds

2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 28893684
2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
CID 24703026
2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
CID 24691201
2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
CID 66354146
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
CID 43591453
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
CID 83015559
2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide (CID 114912654) is 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide is NC(=S)c1ccccc1OCC(=O)Nc1cnns1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide?
The InChIKey is AGRYPNJCLIOMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S2/c12-11(18)7-3-1-2-4-8(7)17-6-9(16)14-10-5-13-15-19-10/h1-5H,6H2,(H2,12,18)(H,14,16).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide?
2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide is sourced from PubChem (CID 114912654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).