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

C10H12N2O3S — CID 126650020

IUPACethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C(C)CS2
InChIInChI=1S/C10H12N2O3S/c1-3-15-9(14)7-4-11-10-12(8(7)13)6(2)5-16-10/h4,6H,3,5H2,1-2H3
InChIKeyAYQRVBGJVALNED-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.09
Rot. Bonds2

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

ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126650020) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID126650020
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C(C)CS2
InChIInChI=1S/C10H12N2O3S/c1-3-15-9(14)7-4-11-10-12(8(7)13)6(2)5-16-10/h4,6H,3,5H2,1-2H3
InChIKeyAYQRVBGJVALNED-UHFFFAOYSA-N
XLogP1.09
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126650020) is ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2n(c1=O)C(C)CS2.
What is the InChIKey of ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is AYQRVBGJVALNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-15-9(14)7-4-11-10-12(8(7)13)6(2)5-16-10/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126650020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).