2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid

C10H15N3O2S — CID 79263868

IUPAC2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESC=CCN(CC(=O)O)c1nc(CCC)ns1
InChIInChI=1S/C10H15N3O2S/c1-3-5-8-11-10(16-12-8)13(6-4-2)7-9(14)15/h4H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyXJCOKDVHJFRDMV-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.57
Rot. Bonds7

About 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid

2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 79263868) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID79263868
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESC=CCN(CC(=O)O)c1nc(CCC)ns1
InChIInChI=1S/C10H15N3O2S/c1-3-5-8-11-10(16-12-8)13(6-4-2)7-9(14)15/h4H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyXJCOKDVHJFRDMV-UHFFFAOYSA-N
XLogP1.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 79263868) is 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is C=CCN(CC(=O)O)c1nc(CCC)ns1.
What is the InChIKey of 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is XJCOKDVHJFRDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-5-8-11-10(16-12-8)13(6-4-2)7-9(14)15/h4H,2-3,5-7H2,1H3,(H,14,15).
What are the key properties of 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 241.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 79263868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).