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

C14H10N2O3S — CID 672161

IUPACmethyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1
InChIInChI=1S/C14H10N2O3S/c1-19-13(18)10-7-12(17)16-11(8-20-14(16)15-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyKYJFINKGXCOACY-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.21
Rot. Bonds2

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

methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate (PubChem CID 672161) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate
PubChem CID672161
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Namemethyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1
InChIInChI=1S/C14H10N2O3S/c1-19-13(18)10-7-12(17)16-11(8-20-14(16)15-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyKYJFINKGXCOACY-UHFFFAOYSA-N
XLogP2.21
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate (CID 672161) is methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate is COC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1.
What is the InChIKey of methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate?
The InChIKey is KYJFINKGXCOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-19-13(18)10-7-12(17)16-11(8-20-14(16)15-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate?
methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 672161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).