2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid

C8H8N4O3S — CID 43465744

IUPAC2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(=O)n2ncsc2n1
InChIInChI=1S/C8H8N4O3S/c13-6-1-5(2-9-3-7(14)15)11-8-12(6)10-4-16-8/h1,4,9H,2-3H2,(H,14,15)
InChIKeyXGVXJCBCTGGFEY-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.67
Rot. Bonds4

About 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid

2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (PubChem CID 43465744) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
PubChem CID43465744
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(=O)n2ncsc2n1
InChIInChI=1S/C8H8N4O3S/c13-6-1-5(2-9-3-7(14)15)11-8-12(6)10-4-16-8/h1,4,9H,2-3H2,(H,14,15)
InChIKeyXGVXJCBCTGGFEY-UHFFFAOYSA-N
XLogP-0.67
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (CID 43465744) is 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is O=C(O)CNCc1cc(=O)n2ncsc2n1.
What is the InChIKey of 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The InChIKey is XGVXJCBCTGGFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c13-6-1-5(2-9-3-7(14)15)11-8-12(6)10-4-16-8/h1,4,9H,2-3H2,(H,14,15).
What are the key properties of 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid has a molecular weight of 240.24 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is sourced from PubChem (CID 43465744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).