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

C8H8N2O3S — CID 83670342

IUPAC6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid
SMILESO=C(O)c1cnc2n(c1=O)CCCS2
InChIInChI=1S/C8H8N2O3S/c11-6-5(7(12)13)4-9-8-10(6)2-1-3-14-8/h4H,1-3H2,(H,12,13)
InChIKeyPKJGGQLYHNNGLP-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.44
Rot. Bonds1

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

6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid (PubChem CID 83670342) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid.

Molecular Properties

Compound Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid
PubChem CID83670342
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid
SMILESO=C(O)c1cnc2n(c1=O)CCCS2
InChIInChI=1S/C8H8N2O3S/c11-6-5(7(12)13)4-9-8-10(6)2-1-3-14-8/h4H,1-3H2,(H,12,13)
InChIKeyPKJGGQLYHNNGLP-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidine-6-carboxylic acid
CID 1807101
3-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126649732
2-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126650140
ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 126668538
6-Oxo-2H,3H,4H,6H-pyrimido[2,1-B][1,3]thiazine-3-carboxylic acid
CID 56724857
6-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid hydrochloride
CID 71779250
8-oxo-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-9-carboxylic acid
CID 84015721
8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid
CID 84015722
6-chloro-8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid
CID 84018642
7-methyl-6-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid
CID 86820371
(3R)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid
CID 95367415
(3S)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid
CID 95367417

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid?
The IUPAC name of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid (CID 83670342) is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid.
What is the SMILES notation for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid?
The canonical SMILES for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid is O=C(O)c1cnc2n(c1=O)CCCS2.
What is the InChIKey of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid?
The InChIKey is PKJGGQLYHNNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-6-5(7(12)13)4-9-8-10(6)2-1-3-14-8/h4H,1-3H2,(H,12,13).
What are the key properties of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid?
6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid has a molecular weight of 212.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid is sourced from PubChem (CID 83670342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).