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

C7H9N3O2S — CID 82112298

IUPACN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Cc1nsc(NC(C)=O)n1
InChIInChI=1S/C7H9N3O2S/c1-4(11)3-6-9-7(13-10-6)8-5(2)12/h3H2,1-2H3,(H,8,9,10,12)
InChIKeyZNLRAYWWSXVMDJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.63
Rot. Bonds3

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

N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 82112298) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID82112298
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Cc1nsc(NC(C)=O)n1
InChIInChI=1S/C7H9N3O2S/c1-4(11)3-6-9-7(13-10-6)8-5(2)12/h3H2,1-2H3,(H,8,9,10,12)
InChIKeyZNLRAYWWSXVMDJ-UHFFFAOYSA-N
XLogP0.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one
CID 653344
ethyl N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 12368414
1-[5-(Butylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 3317921
1-(5-Amino-1,2,4-thiadiazol-3-yl)propan-2-one
CID 54775331
3,3,3-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 132295509
4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 154739989
1-[5-(Propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4275800
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 20719842
N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
CID 20719844
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
N-[3-(2-Oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 21458541
2-(5-Acetamido-1,2,4-thiadiazol-3-yl)acetic acid
CID 21458548

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 82112298) is N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide is CC(=O)Cc1nsc(NC(C)=O)n1.
What is the InChIKey of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is ZNLRAYWWSXVMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4(11)3-6-9-7(13-10-6)8-5(2)12/h3H2,1-2H3,(H,8,9,10,12).
What are the key properties of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide?
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 199.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 82112298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).