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

C10H12N4O3S — CID 43465912

IUPAC2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESCCc1nn2c(=O)cc(CNCC(=O)O)nc2s1
InChIInChI=1S/C10H12N4O3S/c1-2-7-13-14-8(15)3-6(12-10(14)18-7)4-11-5-9(16)17/h3,11H,2,4-5H2,1H3,(H,16,17)
InChIKeySUDSMJIOWHENMY-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.11
Rot. Bonds5

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

2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (PubChem CID 43465912) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
PubChem CID43465912
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESCCc1nn2c(=O)cc(CNCC(=O)O)nc2s1
InChIInChI=1S/C10H12N4O3S/c1-2-7-13-14-8(15)3-6(12-10(14)18-7)4-11-5-9(16)17/h3,11H,2,4-5H2,1H3,(H,16,17)
InChIKeySUDSMJIOWHENMY-UHFFFAOYSA-N
XLogP-0.11
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (CID 43465912) is 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is CCc1nn2c(=O)cc(CNCC(=O)O)nc2s1.
What is the InChIKey of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The InChIKey is SUDSMJIOWHENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-2-7-13-14-8(15)3-6(12-10(14)18-7)4-11-5-9(16)17/h3,11H,2,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid has a molecular weight of 268.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is sourced from PubChem (CID 43465912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).