2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C14H14N2O3S — CID 138042168

IUPAC2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESO=C(OC1CC2CCC1C2)c1cnc2sccn2c1=O
InChIInChI=1S/C14H14N2O3S/c17-12-10(7-15-14-16(12)3-4-20-14)13(18)19-11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2
InChIKeyOITYCJGSXOQIMV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.10
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 138042168) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID138042168
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESO=C(OC1CC2CCC1C2)c1cnc2sccn2c1=O
InChIInChI=1S/C14H14N2O3S/c17-12-10(7-15-14-16(12)3-4-20-14)13(18)19-11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2
InChIKeyOITYCJGSXOQIMV-UHFFFAOYSA-N
XLogP2.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 138042168) is 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is O=C(OC1CC2CCC1C2)c1cnc2sccn2c1=O.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is OITYCJGSXOQIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-12-10(7-15-14-16(12)3-4-20-14)13(18)19-11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 138042168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).