(2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid

C13H13N3O4S — CID 66263565

IUPAC(2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H13N3O4S/c17-10(15-4-2-1-3-9(15)12(19)20)8-7-14-13-16(11(8)18)5-6-21-13/h5-7,9H,1-4H2,(H,19,20)/t9-/m0/s1
InChIKeyGSYSOEAUDSSPHK-VIFPVBQESA-N
MW307.33 g/mol
LogP0.84
Rot. Bonds2

About (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66263565) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
PubChem CID66263565
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name(2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H13N3O4S/c17-10(15-4-2-1-3-9(15)12(19)20)8-7-14-13-16(11(8)18)5-6-21-13/h5-7,9H,1-4H2,(H,19,20)/t9-/m0/s1
InChIKeyGSYSOEAUDSSPHK-VIFPVBQESA-N
XLogP0.84
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid (CID 66263565) is (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is GSYSOEAUDSSPHK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13N3O4S/c17-10(15-4-2-1-3-9(15)12(19)20)8-7-14-13-16(11(8)18)5-6-21-13/h5-7,9H,1-4H2,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66263565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).