N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide

C6H7N3O2S — CID 21458541

IUPACN-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(CC=O)ns1
InChIInChI=1S/C6H7N3O2S/c1-4(11)7-6-8-5(2-3-10)9-12-6/h3H,2H2,1H3,(H,7,8,9,11)
InChIKeyCSGUEGTXNSXMRL-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.24
Rot. Bonds3

About N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide

N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 21458541) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID21458541
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC NameN-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(CC=O)ns1
InChIInChI=1S/C6H7N3O2S/c1-4(11)7-6-8-5(2-3-10)9-12-6/h3H,2H2,1H3,(H,7,8,9,11)
InChIKeyCSGUEGTXNSXMRL-UHFFFAOYSA-N
XLogP0.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 84600835
3,3,3-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 132295509
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 20719842
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
methyl N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 21458519
2-(5-Acetamido-1,2,4-thiadiazol-3-yl)acetic acid
CID 21458548
N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688984
N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688989
ethyl N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 22726959
2-(5-Amino-1,2,4-thiadiazol-3-yl)acetaldehyde
CID 53760726
N-[3-(C-formyl-N-methoxycarbonimidoyl)-1,2,4-thiadiazol-5-yl]formamide
CID 53829449
Methyl 2-[5-(2-methylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 67878623

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 21458541) is N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide is CC(=O)Nc1nc(CC=O)ns1.
What is the InChIKey of N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is CSGUEGTXNSXMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c1-4(11)7-6-8-5(2-3-10)9-12-6/h3H,2H2,1H3,(H,7,8,9,11).
What are the key properties of N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide?
N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 185.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 21458541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).