methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate

C13H13N3O4S — CID 43410156

IUPACmethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H13N3O4S/c1-20-12(19)9-3-2-4-15(9)10(17)8-7-14-13-16(11(8)18)5-6-21-13/h5-7,9H,2-4H2,1H3
InChIKeyCCRFCNAZNGCOEG-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.53
Rot. Bonds2

About methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43410156) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43410156
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Namemethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H13N3O4S/c1-20-12(19)9-3-2-4-15(9)10(17)8-7-14-13-16(11(8)18)5-6-21-13/h5-7,9H,2-4H2,1H3
InChIKeyCCRFCNAZNGCOEG-UHFFFAOYSA-N
XLogP0.53
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate (CID 43410156) is methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is CCRFCNAZNGCOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-20-12(19)9-3-2-4-15(9)10(17)8-7-14-13-16(11(8)18)5-6-21-13/h5-7,9H,2-4H2,1H3.
What are the key properties of methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).