ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

C10H12N2O3S — CID 126668538

IUPACethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CCCS2
InChIInChI=1S/C10H12N2O3S/c1-2-15-9(14)7-6-11-10-12(8(7)13)4-3-5-16-10/h6H,2-5H2,1H3
InChIKeySJVJIBBDVSSHOZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.92
Rot. Bonds2

About ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (PubChem CID 126668538) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
PubChem CID126668538
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CCCS2
InChIInChI=1S/C10H12N2O3S/c1-2-15-9(14)7-6-11-10-12(8(7)13)4-3-5-16-10/h6H,2-5H2,1H3
InChIKeySJVJIBBDVSSHOZ-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The IUPAC name of ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (CID 126668538) is ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
What is the SMILES notation for ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The canonical SMILES for ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is CCOC(=O)c1cnc2n(c1=O)CCCS2.
What is the InChIKey of ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The InChIKey is SJVJIBBDVSSHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-2-15-9(14)7-6-11-10-12(8(7)13)4-3-5-16-10/h6H,2-5H2,1H3.
What are the key properties of ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is sourced from PubChem (CID 126668538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).