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

C9H9N3O3S — CID 43466030

IUPAC2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C9H9N3O3S/c13-7-3-6(4-10-5-8(14)15)11-9-12(7)1-2-16-9/h1-3,10H,4-5H2,(H,14,15)
InChIKeyZEBNQHBLDIADNA-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.07
Rot. Bonds4

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

2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (PubChem CID 43466030) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
PubChem CID43466030
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C9H9N3O3S/c13-7-3-6(4-10-5-8(14)15)11-9-12(7)1-2-16-9/h1-3,10H,4-5H2,(H,14,15)
InChIKeyZEBNQHBLDIADNA-UHFFFAOYSA-N
XLogP-0.07
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262461
3,3,3-Trifluoro-2-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
CID 79791587
[2-(Methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8772037
N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide
CID 8772038
Ethyl-[2-(ethylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 9433164
N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 9433165
2-[4-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetic acid
CID 43397403
2-[Methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442387
2-[Methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442434
2-[(5-Oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 43465744
2-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 43465970
3-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
CID 43466549

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (CID 43466030) is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is O=C(O)CNCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The InChIKey is ZEBNQHBLDIADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c13-7-3-6(4-10-5-8(14)15)11-9-12(7)1-2-16-9/h1-3,10H,4-5H2,(H,14,15).
What are the key properties of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid has a molecular weight of 239.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is sourced from PubChem (CID 43466030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).