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

C10H12N4O3S — CID 54900580

IUPAC2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C10H12N4O3S/c1-2-13(5-9(16)17)4-7-3-8(15)14-10(12-7)18-6-11-14/h3,6H,2,4-5H2,1H3,(H,16,17)
InChIKeyBPTZVAXDEPTPSB-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.06
Rot. Bonds5

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

2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 54900580) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
PubChem CID54900580
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C10H12N4O3S/c1-2-13(5-9(16)17)4-7-3-8(15)14-10(12-7)18-6-11-14/h3,6H,2,4-5H2,1H3,(H,16,17)
InChIKeyBPTZVAXDEPTPSB-UHFFFAOYSA-N
XLogP0.06
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 54900580) is 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is CCN(CC(=O)O)Cc1cc(=O)n2ncsc2n1.
What is the InChIKey of 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The InChIKey is BPTZVAXDEPTPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-2-13(5-9(16)17)4-7-3-8(15)14-10(12-7)18-6-11-14/h3,6H,2,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 268.30 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 54900580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).