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

C8H9N3O2S — CID 126647231

IUPAC6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
SMILESNC(=O)c1cnc2n(c1=O)CCCS2
InChIInChI=1S/C8H9N3O2S/c9-6(12)5-4-10-8-11(7(5)13)2-1-3-14-8/h4H,1-3H2,(H2,9,12)
InChIKeyJGKKACLZHRRQIW-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.16
Rot. Bonds1

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

6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide (PubChem CID 126647231) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide.

Molecular Properties

Compound Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
PubChem CID126647231
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
SMILESNC(=O)c1cnc2n(c1=O)CCCS2
InChIInChI=1S/C8H9N3O2S/c9-6(12)5-4-10-8-11(7(5)13)2-1-3-14-8/h4H,1-3H2,(H2,9,12)
InChIKeyJGKKACLZHRRQIW-UHFFFAOYSA-N
XLogP-0.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piperidine, 1-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379280
N-cyclopropyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802291
N-cyclopropyl-(R)-6-methyl-5-oxo-1-thia-4a,8-diaza-3,4-dihydro-2H,5H-naphthalene-3-carboxamide
CID 97041318
7-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572614
8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbaldehyde
CID 82399644
N,N,7-trimethyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572325
N,N-diethyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572326
7-methyl-6-oxo-N,N-dipropyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572327
N,N-diisopropyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572328
N,N-dibutyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572329
N,N-diisobutyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572330
N-butyl-N,7-dimethyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572332

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The IUPAC name of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide (CID 126647231) is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide.
What is the SMILES notation for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The canonical SMILES for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide is NC(=O)c1cnc2n(c1=O)CCCS2.
What is the InChIKey of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The InChIKey is JGKKACLZHRRQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-6(12)5-4-10-8-11(7(5)13)2-1-3-14-8/h4H,1-3H2,(H2,9,12).
What are the key properties of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide?
6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide has a molecular weight of 211.25 g/mol, XLogP of -0.16, 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-carboxamide is sourced from PubChem (CID 126647231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).