5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

C12H13N3O3S2 — CID 46964256

IUPAC5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
SMILESCCOCc1nnc(NC(=O)c2csc(C(C)=O)c2)s1
InChIInChI=1S/C12H13N3O3S2/c1-3-18-5-10-14-15-12(20-10)13-11(17)8-4-9(7(2)16)19-6-8/h4,6H,3,5H2,1-2H3,(H,13,15,17)
InChIKeyCBFBRMXRLKKEOK-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.59
Rot. Bonds6

About 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 46964256) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
PubChem CID46964256
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
SMILESCCOCc1nnc(NC(=O)c2csc(C(C)=O)c2)s1
InChIInChI=1S/C12H13N3O3S2/c1-3-18-5-10-14-15-12(20-10)13-11(17)8-4-9(7(2)16)19-6-8/h4,6H,3,5H2,1-2H3,(H,13,15,17)
InChIKeyCBFBRMXRLKKEOK-UHFFFAOYSA-N
XLogP2.59
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide 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

5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 156584427
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide
CID 16673376
2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid
CID 56920152
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226987
ethyl 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate
CID 3158223
4-acetamido-5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 4014438
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 113233248
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 7263150
5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 107642867
3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 134705450
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202699

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (CID 46964256) is 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is CCOCc1nnc(NC(=O)c2csc(C(C)=O)c2)s1.
What is the InChIKey of 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is CBFBRMXRLKKEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-3-18-5-10-14-15-12(20-10)13-11(17)8-4-9(7(2)16)19-6-8/h4,6H,3,5H2,1-2H3,(H,13,15,17).
What are the key properties of 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 46964256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).