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

C12H15N3O3S — CID 54900295

IUPAC2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C12H15N3O3S/c1-3-14(6-11(17)18)5-9-4-10(16)15-8(2)7-19-12(15)13-9/h4,7H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyCYOISNRDNCLFND-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.97
Rot. Bonds5

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

2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 54900295) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
PubChem CID54900295
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C12H15N3O3S/c1-3-14(6-11(17)18)5-9-4-10(16)15-8(2)7-19-12(15)13-9/h4,7H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyCYOISNRDNCLFND-UHFFFAOYSA-N
XLogP0.97
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 54900295) is 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is CCN(CC(=O)O)Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The InChIKey is CYOISNRDNCLFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-14(6-11(17)18)5-9-4-10(16)15-8(2)7-19-12(15)13-9/h4,7H,3,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 281.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 54900295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).