2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one

C11H5F2N3OS — CID 54772816

IUPAC2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one
SMILESNc1nc(=O)c2cnc3c(F)ccc(F)c3c2s1
InChIInChI=1S/C11H5F2N3OS/c12-5-1-2-6(13)8-7(5)9-4(3-15-8)10(17)16-11(14)18-9/h1-3H,(H2,14,16,17)
InChIKeyDXTVZMVIVZIYEW-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.07
Rot. Bonds

About 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one

2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one (PubChem CID 54772816) has the molecular formula C11H5F2N3OS and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one.

Molecular Properties

Compound Name2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one
PubChem CID54772816
Molecular FormulaC11H5F2N3OS
Molecular Weight265.24 g/mol
Exact Mass265.01
IUPAC Name2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one
SMILESNc1nc(=O)c2cnc3c(F)ccc(F)c3c2s1
InChIInChI=1S/C11H5F2N3OS/c12-5-1-2-6(13)8-7(5)9-4(3-15-8)10(17)16-11(14)18-9/h1-3H,(H2,14,16,17)
InChIKeyDXTVZMVIVZIYEW-UHFFFAOYSA-N
XLogP2.07
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one with MolForge

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Related Compounds

4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate
CID 43839924
7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine
CID 176951023
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 170572306
7-bromo-6-fluoro-1,3-benzothiazol-2-amine
CID 22720417
5-chloro-8-fluoroquinazolin-2-amine
CID 155895299
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 169182238
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
CID 26597119
(2-amino-7-bromo-5-fluoro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid
CID 22280419

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one?
The IUPAC name of 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one (CID 54772816) is 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one.
What is the SMILES notation for 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one?
The canonical SMILES for 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one is Nc1nc(=O)c2cnc3c(F)ccc(F)c3c2s1.
What is the InChIKey of 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one?
The InChIKey is DXTVZMVIVZIYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F2N3OS/c12-5-1-2-6(13)8-7(5)9-4(3-15-8)10(17)16-11(14)18-9/h1-3H,(H2,14,16,17).
What are the key properties of 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one?
2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one has a molecular weight of 265.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,10-difluoro-[1,3]thiazino[5,6-c]quinolin-4-one is sourced from PubChem (CID 54772816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).