3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione

C11H10N2S2 — CID 44623002

IUPAC3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione
SMILESS=C1Sc2ccccc2C2=NCCCN12
InChIInChI=1S/C11H10N2S2/c14-11-13-7-3-6-12-10(13)8-4-1-2-5-9(8)15-11/h1-2,4-5H,3,6-7H2
InChIKeyNPBNYYVWCOBLJR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.53
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione

3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione (PubChem CID 44623002) has the molecular formula C11H10N2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione
PubChem CID44623002
Molecular FormulaC11H10N2S2
Molecular Weight234.35 g/mol
Exact Mass234.03
IUPAC Name3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione
SMILESS=C1Sc2ccccc2C2=NCCCN12
InChIInChI=1S/C11H10N2S2/c14-11-13-7-3-6-12-10(13)8-4-1-2-5-9(8)15-11/h1-2,4-5H,3,6-7H2
InChIKeyNPBNYYVWCOBLJR-UHFFFAOYSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione?
The IUPAC name of 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione (CID 44623002) is 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione is S=C1Sc2ccccc2C2=NCCCN12.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione?
The InChIKey is NPBNYYVWCOBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S2/c14-11-13-7-3-6-12-10(13)8-4-1-2-5-9(8)15-11/h1-2,4-5H,3,6-7H2.
What are the key properties of 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione?
3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione has a molecular weight of 234.35 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione is sourced from PubChem (CID 44623002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).