2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid

C9H9N3O4S — CID 43354492

IUPAC2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H9N3O4S/c13-6(14)4-10-7(15)5-3-11-9-12(8(5)16)1-2-17-9/h3H,1-2,4H2,(H,10,15)(H,13,14)
InChIKeyQDRIURPGIPWFBF-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.84
Rot. Bonds3

About 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid

2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 43354492) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID43354492
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H9N3O4S/c13-6(14)4-10-7(15)5-3-11-9-12(8(5)16)1-2-17-9/h3H,1-2,4H2,(H,10,15)(H,13,14)
InChIKeyQDRIURPGIPWFBF-UHFFFAOYSA-N
XLogP-0.84
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (CID 43354492) is 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is QDRIURPGIPWFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c13-6(14)4-10-7(15)5-3-11-9-12(8(5)16)1-2-17-9/h3H,1-2,4H2,(H,10,15)(H,13,14).
What are the key properties of 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 255.25 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 43354492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).