2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

C8H10N4O3S — CID 79276710

IUPAC2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C8H10N4O3S/c1-2-3-12(4-6(13)14)8(15)10-7-11-9-5-16-7/h2,5H,1,3-4H2,(H,13,14)(H,10,11,15)
InChIKeyOUFFJRXSUAHPRB-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.64
Rot. Bonds5

About 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 79276710) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID79276710
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C8H10N4O3S/c1-2-3-12(4-6(13)14)8(15)10-7-11-9-5-16-7/h2,5H,1,3-4H2,(H,13,14)(H,10,11,15)
InChIKeyOUFFJRXSUAHPRB-UHFFFAOYSA-N
XLogP0.64
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[Methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 43135652
N',N'-bis(prop-2-enyl)-N-(1,3,4-thiadiazol-2-yl)oxamide
CID 47336045
2-[2-Methylpropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 55147440
2-[Butan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192256
2-[Ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192478
2-[Propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192597
2-[Propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192715
2-[Cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61193496
2-[Carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 63646596
2-[Tert-butyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 79257645
2-[Prop-2-ynyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 79273443
2-[(2-Methyltetrazol-5-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 81584203

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 79276710) is 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)Nc1nncs1.
What is the InChIKey of 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is OUFFJRXSUAHPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-2-3-12(4-6(13)14)8(15)10-7-11-9-5-16-7/h2,5H,1,3-4H2,(H,13,14)(H,10,11,15).
What are the key properties of 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 242.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79276710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).