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

C13H15N3O3S — CID 61371113

IUPAC2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H15N3O3S/c17-11-6-9(14-13-16(11)4-5-20-13)8-15-3-1-2-10(15)7-12(18)19/h4-6,10H,1-3,7-8H2,(H,18,19)
InChIKeyUCHALTRNAFSNPJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.20
Rot. Bonds4

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

2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371113) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371113
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H15N3O3S/c17-11-6-9(14-13-16(11)4-5-20-13)8-15-3-1-2-10(15)7-12(18)19/h4-6,10H,1-3,7-8H2,(H,18,19)
InChIKeyUCHALTRNAFSNPJ-UHFFFAOYSA-N
XLogP1.20
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 61371113) is 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is UCHALTRNAFSNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11-6-9(14-13-16(11)4-5-20-13)8-15-3-1-2-10(15)7-12(18)19/h4-6,10H,1-3,7-8H2,(H,18,19).
What are the key properties of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 293.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).