7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C9H12N2O2S — CID 135439006

IUPAC7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C9H12N2O2S/c1-2-6-7(12)10-9-11(8(6)13)4-3-5-14-9/h12H,2-5H2,1H3
InChIKeyHOCNEONZKWCPSW-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.01
Rot. Bonds1

About 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135439006) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135439006
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C9H12N2O2S/c1-2-6-7(12)10-9-11(8(6)13)4-3-5-14-9/h12H,2-5H2,1H3
InChIKeyHOCNEONZKWCPSW-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135439006) is 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCc1c(O)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is HOCNEONZKWCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-6-7(12)10-9-11(8(6)13)4-3-5-14-9/h12H,2-5H2,1H3.
What are the key properties of 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 212.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135439006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).