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

C8H9ClN2O3S — CID 71779250

IUPAC6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C8H8N2O3S.ClH/c11-6-1-2-9-8-10(6)3-5(4-14-8)7(12)13;/h1-2,5H,3-4H2,(H,12,13);1H
InChIKeyPTWRMZKWXRDMTJ-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.47
Rot. Bonds1

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

6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride (PubChem CID 71779250) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride
PubChem CID71779250
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C8H8N2O3S.ClH/c11-6-1-2-9-8-10(6)3-5(4-14-8)7(12)13;/h1-2,5H,3-4H2,(H,12,13);1H
InChIKeyPTWRMZKWXRDMTJ-UHFFFAOYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride (CID 71779250) is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CSc2nccc(=O)n2C1.
What is the InChIKey of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride?
The InChIKey is PTWRMZKWXRDMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S.ClH/c11-6-1-2-9-8-10(6)3-5(4-14-8)7(12)13;/h1-2,5H,3-4H2,(H,12,13);1H.
What are the key properties of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride?
6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid;hydrochloride has a molecular weight of 248.69 g/mol, XLogP of 0.47, 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-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71779250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).