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

C8H7N3OS — CID 151554497

IUPAC6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
SMILESN#Cc1cnc2n(c1=O)CCCS2
InChIInChI=1S/C8H7N3OS/c9-4-6-5-10-8-11(7(6)12)2-1-3-13-8/h5H,1-3H2
InChIKeyQBEOHKNQHHCSTI-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.61
Rot. Bonds

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

6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile (PubChem CID 151554497) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile.

Molecular Properties

Compound Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
PubChem CID151554497
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
SMILESN#Cc1cnc2n(c1=O)CCCS2
InChIInChI=1S/C8H7N3OS/c9-4-6-5-10-8-11(7(6)12)2-1-3-13-8/h5H,1-3H2
InChIKeyQBEOHKNQHHCSTI-UHFFFAOYSA-N
XLogP0.61
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.61
H-Bond Donors ≤ 50
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-7-carbonitrile?
The IUPAC name of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile (CID 151554497) is 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile.
What is the SMILES notation for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The canonical SMILES for 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile is N#Cc1cnc2n(c1=O)CCCS2.
What is the InChIKey of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The InChIKey is QBEOHKNQHHCSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-4-6-5-10-8-11(7(6)12)2-1-3-13-8/h5H,1-3H2.
What are the key properties of 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile has a molecular weight of 193.23 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 151554497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).