propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

C10H10N2O3S — CID 57266412

IUPACpropyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C10H10N2O3S/c1-2-4-15-9(14)7-6-8(13)11-10-12(7)3-5-16-10/h3,5-6H,2,4H2,1H3
InChIKeyPLMMCBNULOXYSR-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.32
Rot. Bonds3

About propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 57266412) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID57266412
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Namepropyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C10H10N2O3S/c1-2-4-15-9(14)7-6-8(13)11-10-12(7)3-5-16-10/h3,5-6H,2,4H2,1H3
InChIKeyPLMMCBNULOXYSR-UHFFFAOYSA-N
XLogP1.32
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 57266412) is propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is CCCOC(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is PLMMCBNULOXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-4-15-9(14)7-6-8(13)11-10-12(7)3-5-16-10/h3,5-6H,2,4H2,1H3.
What are the key properties of propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 57266412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).