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

C17H14N2O3S — CID 4828948

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14N2O3S/c20-14-10-13(18-16-19(14)8-9-23-16)11-22-15(21)17(6-7-17)12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2
InChIKeyPEAQXRRFPYAEMT-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.53
Rot. Bonds4

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate (PubChem CID 4828948) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate
PubChem CID4828948
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14N2O3S/c20-14-10-13(18-16-19(14)8-9-23-16)11-22-15(21)17(6-7-17)12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2
InChIKeyPEAQXRRFPYAEMT-UHFFFAOYSA-N
XLogP2.53
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.53
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 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate (CID 4828948) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate is O=C(OCc1cc(=O)n2ccsc2n1)C1(c2ccccc2)CC1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate?
The InChIKey is PEAQXRRFPYAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-14-10-13(18-16-19(14)8-9-23-16)11-22-15(21)17(6-7-17)12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate has a molecular weight of 326.38 g/mol, XLogP of 2.53, 4 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 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 4828948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).