2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide

C13H14N2O2S2 — CID 47138312

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NOCc1ccccc1
InChIInChI=1S/C13H14N2O2S2/c1-9-11(19-13(18)14-9)7-12(16)15-17-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)(H,15,16)
InChIKeyPZDCGCHHJNBOGA-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide (PubChem CID 47138312) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide
PubChem CID47138312
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NOCc1ccccc1
InChIInChI=1S/C13H14N2O2S2/c1-9-11(19-13(18)14-9)7-12(16)15-17-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)(H,15,16)
InChIKeyPZDCGCHHJNBOGA-UHFFFAOYSA-N
XLogP2.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide 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-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
N-tert-butyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606026
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47127751
N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 166202086
2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778
N-cyclopent-3-en-1-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103762330
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
N-(2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606129
methyl 2,4-dimethyl-5-(phenylmethoxycarbamoyl)-1H-pyrrole-3-carboxylate
CID 17426403
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
N-[(6-methoxy-3-pyridinyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103607000

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide (CID 47138312) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide is Cc1[nH]c(=S)sc1CC(=O)NOCc1ccccc1.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide?
The InChIKey is PZDCGCHHJNBOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-9-11(19-13(18)14-9)7-12(16)15-17-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 47138312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).