2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide

C10H16N4O2S2 — CID 801760

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(NC(C)=O)s1
InChIInChI=1S/C10H16N4O2S2/c1-4-14(5-2)8(16)6-17-10-13-12-9(18-10)11-7(3)15/h4-6H2,1-3H3,(H,11,12,15)
InChIKeySBXMVBCVEJTPOW-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.46
Rot. Bonds6

About 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 801760) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID801760
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(NC(C)=O)s1
InChIInChI=1S/C10H16N4O2S2/c1-4-14(5-2)8(16)6-17-10-13-12-9(18-10)11-7(3)15/h4-6H2,1-3H3,(H,11,12,15)
InChIKeySBXMVBCVEJTPOW-UHFFFAOYSA-N
XLogP1.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide 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

N-[5-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1084779
2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1462703
2-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]thio}-N-(tert-butyl)acetamide
CID 802824
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1462684
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 1462705
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 647123
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 1863801
N-{5-[2-(2,6-Dimethyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-[1,3,4]thiadiazol-2-yl}-acetamide
CID 3220439
2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopentyl-acetamide
CID 1470518
N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 895815
1-[2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 17403994
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135705973

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide (CID 801760) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc(NC(C)=O)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is SBXMVBCVEJTPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-4-14(5-2)8(16)6-17-10-13-12-9(18-10)11-7(3)15/h4-6H2,1-3H3,(H,11,12,15).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 288.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 801760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).