6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

C20H22FN3S — CID 66684361

IUPAC6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cccnc3F)cc2C2(CCSC(N)=N2)C1
InChIInChI=1S/C20H22FN3S/c1-19(2)11-14-6-5-13(15-4-3-8-23-17(15)21)10-16(14)20(12-19)7-9-25-18(22)24-20/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,22,24)
InChIKeyPYRYHMNKKJHNMD-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.51
Rot. Bonds1

About 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (PubChem CID 66684361) has the molecular formula C20H22FN3S and a molecular weight of 355.48 g/mol. Its IUPAC name is 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
PubChem CID66684361
Molecular FormulaC20H22FN3S
Molecular Weight355.48 g/mol
Exact Mass355.15
IUPAC Name6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cccnc3F)cc2C2(CCSC(N)=N2)C1
InChIInChI=1S/C20H22FN3S/c1-19(2)11-14-6-5-13(15-4-3-8-23-17(15)21)10-16(14)20(12-19)7-9-25-18(22)24-20/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,22,24)
InChIKeyPYRYHMNKKJHNMD-UHFFFAOYSA-N
XLogP4.51
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The IUPAC name of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (CID 66684361) is 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.
What is the SMILES notation for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The canonical SMILES for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is CC1(C)Cc2ccc(-c3cccnc3F)cc2C2(CCSC(N)=N2)C1.
What is the InChIKey of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The InChIKey is PYRYHMNKKJHNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3S/c1-19(2)11-14-6-5-13(15-4-3-8-23-17(15)21)10-16(14)20(12-19)7-9-25-18(22)24-20/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,22,24).
What are the key properties of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine has a molecular weight of 355.48 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is sourced from PubChem (CID 66684361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).