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

C14H17N3O3S — CID 62026668

IUPACethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N3O3S/c1-2-20-13(19)11-4-3-5-16(11)9-10-8-12(18)17-6-7-21-14(17)15-10/h6-8,11H,2-5,9H2,1H3
InChIKeyBFVFFIRDTDAREQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.28
Rot. Bonds4

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

ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 62026668) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID62026668
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Nameethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N3O3S/c1-2-20-13(19)11-4-3-5-16(11)9-10-8-12(18)17-6-7-21-14(17)15-10/h6-8,11H,2-5,9H2,1H3
InChIKeyBFVFFIRDTDAREQ-UHFFFAOYSA-N
XLogP1.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate (CID 62026668) is ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is BFVFFIRDTDAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-20-13(19)11-4-3-5-16(11)9-10-8-12(18)17-6-7-21-14(17)15-10/h6-8,11H,2-5,9H2,1H3.
What are the key properties of ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate?
ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62026668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).