9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione

C11H11NO2S2 — CID 3061152

IUPAC9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione
SMILESCOc1ccc2c(c1)C1SCCN1C(=S)O2
InChIInChI=1S/C11H11NO2S2/c1-13-7-2-3-9-8(6-7)10-12(4-5-16-10)11(15)14-9/h2-3,6,10H,4-5H2,1H3
InChIKeyIBCCPNRDYNAIBP-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.42
Rot. Bonds1

About 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione

9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione (PubChem CID 3061152) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione.

Molecular Properties

Compound Name9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione
PubChem CID3061152
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione
SMILESCOc1ccc2c(c1)C1SCCN1C(=S)O2
InChIInChI=1S/C11H11NO2S2/c1-13-7-2-3-9-8(6-7)10-12(4-5-16-10)11(15)14-9/h2-3,6,10H,4-5H2,1H3
InChIKeyIBCCPNRDYNAIBP-UHFFFAOYSA-N
XLogP2.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione?
The IUPAC name of 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione (CID 3061152) is 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione.
What is the SMILES notation for 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione?
The canonical SMILES for 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione is COc1ccc2c(c1)C1SCCN1C(=S)O2.
What is the InChIKey of 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione?
The InChIKey is IBCCPNRDYNAIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-13-7-2-3-9-8(6-7)10-12(4-5-16-10)11(15)14-9/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione?
9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione has a molecular weight of 253.35 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione is sourced from PubChem (CID 3061152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).