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

C11H13N3O3S — CID 54900056

IUPAC2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c1-2-13(7-10(16)17)6-8-5-9(15)14-3-4-18-11(14)12-8/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyBQNLALJDQQSFFP-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.66
Rot. Bonds5

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

2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 54900056) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
PubChem CID54900056
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c1-2-13(7-10(16)17)6-8-5-9(15)14-3-4-18-11(14)12-8/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyBQNLALJDQQSFFP-UHFFFAOYSA-N
XLogP0.66
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 54900056) is 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is CCN(CC(=O)O)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The InChIKey is BQNLALJDQQSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-2-13(7-10(16)17)6-8-5-9(15)14-3-4-18-11(14)12-8/h3-5H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 267.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 54900056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).