2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid

C8H8N4O2S — CID 83839373

IUPAC2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid
SMILESCc1nsc2c(NCC(=O)O)ncnc12
InChIInChI=1S/C8H8N4O2S/c1-4-6-7(15-12-4)8(11-3-10-6)9-2-5(13)14/h3H,2H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyLNGYBTNALUSVHH-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.89
Rot. Bonds3

About 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid

2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid (PubChem CID 83839373) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid
PubChem CID83839373
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid
SMILESCc1nsc2c(NCC(=O)O)ncnc12
InChIInChI=1S/C8H8N4O2S/c1-4-6-7(15-12-4)8(11-3-10-6)9-2-5(13)14/h3H,2H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyLNGYBTNALUSVHH-UHFFFAOYSA-N
XLogP0.89
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid?
The IUPAC name of 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid (CID 83839373) is 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid is Cc1nsc2c(NCC(=O)O)ncnc12.
What is the InChIKey of 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid?
The InChIKey is LNGYBTNALUSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-4-6-7(15-12-4)8(11-3-10-6)9-2-5(13)14/h3H,2H2,1H3,(H,13,14)(H,9,10,11).
What are the key properties of 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid?
2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid has a molecular weight of 224.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)amino]acetic acid is sourced from PubChem (CID 83839373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).