methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C8H8N2O3S — CID 641879

IUPACmethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C8H8N2O3S/c1-13-7(12)5-4-9-8-10(6(5)11)2-3-14-8/h4H,2-3H2,1H3
InChIKeyVTKGKNGZHZWDQU-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.14
Rot. Bonds1

About methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 641879) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID641879
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Namemethyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C8H8N2O3S/c1-13-7(12)5-4-9-8-10(6(5)11)2-3-14-8/h4H,2-3H2,1H3
InChIKeyVTKGKNGZHZWDQU-UHFFFAOYSA-N
XLogP0.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 641879) is methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is VTKGKNGZHZWDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-13-7(12)5-4-9-8-10(6(5)11)2-3-14-8/h4H,2-3H2,1H3.
What are the key properties of methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 212.23 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 641879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).