2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid

C6H7N3O3S — CID 21458548

IUPAC2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid
SMILESCC(=O)Nc1nc(CC(=O)O)ns1
InChIInChI=1S/C6H7N3O3S/c1-3(10)7-6-8-4(9-13-6)2-5(11)12/h2H2,1H3,(H,11,12)(H,7,8,9,10)
InChIKeyWPSXGADEUPAVPM-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.12
Rot. Bonds3

About 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid

2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid (PubChem CID 21458548) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid
PubChem CID21458548
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid
SMILESCC(=O)Nc1nc(CC(=O)O)ns1
InChIInChI=1S/C6H7N3O3S/c1-3(10)7-6-8-4(9-13-6)2-5(11)12/h2H2,1H3,(H,11,12)(H,7,8,9,10)
InChIKeyWPSXGADEUPAVPM-UHFFFAOYSA-N
XLogP0.12
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid 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-(5-{[(Tert-butoxy)carbonyl]amino}-1,2,4-thiadiazol-3-yl)acetic acid
CID 22124376
2-[5-(2,2,2-Trifluoroacetamido)-1,2,4-thiadiazol-3-yl]acetic acid
CID 165662232
Methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 10198517
2-(5-Amino-1,2,4-thiadiazol-3-yl)acetic acid
CID 18689696
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
Methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458527
N-[3-(2-Oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 21458541
2-[5-(Methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetic acid
CID 21458554
N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688984
2-[5-(Ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetic acid
CID 22726836
Methyl 2-[5-(2-methylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 67878623
(3-Ethyl-1,2,4-thiadiazol-5-yl)carbamic acid
CID 69068099

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid?
The IUPAC name of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid (CID 21458548) is 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid is CC(=O)Nc1nc(CC(=O)O)ns1.
What is the InChIKey of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid?
The InChIKey is WPSXGADEUPAVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-3(10)7-6-8-4(9-13-6)2-5(11)12/h2H2,1H3,(H,11,12)(H,7,8,9,10).
What are the key properties of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid?
2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid has a molecular weight of 201.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-1,2,4-thiadiazol-3-yl)acetic acid is sourced from PubChem (CID 21458548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).