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

C11H10N2O3S — CID 2510966

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C11H10N2O3S/c14-9-5-8(6-16-10(15)7-1-2-7)12-11-13(9)3-4-17-11/h3-5,7H,1-2,6H2
InChIKeyIKAUQZQYHDPLQG-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.21
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate (PubChem CID 2510966) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate
PubChem CID2510966
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C11H10N2O3S/c14-9-5-8(6-16-10(15)7-1-2-7)12-11-13(9)3-4-17-11/h3-5,7H,1-2,6H2
InChIKeyIKAUQZQYHDPLQG-UHFFFAOYSA-N
XLogP1.21
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate (CID 2510966) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate is O=C(OCc1cc(=O)n2ccsc2n1)C1CC1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate?
The InChIKey is IKAUQZQYHDPLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-9-5-8(6-16-10(15)7-1-2-7)12-11-13(9)3-4-17-11/h3-5,7H,1-2,6H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclopropanecarboxylate is sourced from PubChem (CID 2510966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).