2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one

C12H10N2O2S — CID 44586697

IUPAC2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one
SMILESCCNc1nc2ccc3oc(=O)ccc3c2s1
InChIInChI=1S/C12H10N2O2S/c1-2-13-12-14-8-4-5-9-7(11(8)17-12)3-6-10(15)16-9/h3-6H,2H2,1H3,(H,13,14)
InChIKeyFEMWZBAEMANNEI-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.83
Rot. Bonds2

About 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one

2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one (PubChem CID 44586697) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one.

Molecular Properties

Compound Name2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one
PubChem CID44586697
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one
SMILESCCNc1nc2ccc3oc(=O)ccc3c2s1
InChIInChI=1S/C12H10N2O2S/c1-2-13-12-14-8-4-5-9-7(11(8)17-12)3-6-10(15)16-9/h3-6H,2H2,1H3,(H,13,14)
InChIKeyFEMWZBAEMANNEI-UHFFFAOYSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one?
The IUPAC name of 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one (CID 44586697) is 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one.
What is the SMILES notation for 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one?
The canonical SMILES for 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one is CCNc1nc2ccc3oc(=O)ccc3c2s1.
What is the InChIKey of 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one?
The InChIKey is FEMWZBAEMANNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-2-13-12-14-8-4-5-9-7(11(8)17-12)3-6-10(15)16-9/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one?
2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one has a molecular weight of 246.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)pyrano[2,3-g][1,3]benzothiazol-7-one is sourced from PubChem (CID 44586697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).