2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid

C8H7N3O3S — CID 79274237

IUPAC2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)c1cnsn1
InChIInChI=1S/C8H7N3O3S/c1-2-3-11(5-7(12)13)8(14)6-4-9-15-10-6/h1,4H,3,5H2,(H,12,13)
InChIKeyORAYEZHDDIGXGF-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.30
Rot. Bonds4

About 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid

2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid (PubChem CID 79274237) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
PubChem CID79274237
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)c1cnsn1
InChIInChI=1S/C8H7N3O3S/c1-2-3-11(5-7(12)13)8(14)6-4-9-15-10-6/h1,4H,3,5H2,(H,12,13)
InChIKeyORAYEZHDDIGXGF-UHFFFAOYSA-N
XLogP-0.30
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
CID 43522539
2-[(1-methylpyrazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 103116999
methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 62953312
2-[(2-phenyltriazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271201
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79274943
2-[(4-methyl-1,3-thiazole-5-carbonyl)-prop-2-ynylamino]acetic acid
CID 79274604
2-[(3,5-dibromobenzoyl)-prop-2-ynylamino]acetic acid
CID 107971562
2-[prop-2-ynyl(1H-1,2,4-triazole-5-carbonyl)amino]acetic acid
CID 79277668
2-[(3-bromothiophene-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79275282
2-[(2,6-dimethylpyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79279582
2-[[4-(aminomethyl)benzoyl]-prop-2-ynylamino]acetic acid
CID 79273984
2-[(2,5-dimethylbenzoyl)-prop-2-ynylamino]acetic acid
CID 79280095

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid (CID 79274237) is 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid is C#CCN(CC(=O)O)C(=O)c1cnsn1.
What is the InChIKey of 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
The InChIKey is ORAYEZHDDIGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-2-3-11(5-7(12)13)8(14)6-4-9-15-10-6/h1,4H,3,5H2,(H,12,13).
What are the key properties of 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid?
2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid has a molecular weight of 225.23 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-ynyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 79274237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).