6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

C18H18FN3S — CID 66683749

IUPAC6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCCc3ccc(-c4cccnc4F)cc32)CCS1
InChIInChI=1S/C18H18FN3S/c19-16-14(4-2-9-21-16)13-6-5-12-3-1-7-18(15(12)11-13)8-10-23-17(20)22-18/h2,4-6,9,11H,1,3,7-8,10H2,(H2,20,22)
InChIKeyVVLNAIPUHNCAKB-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.87
Rot. Bonds1

About 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (PubChem CID 66683749) has the molecular formula C18H18FN3S and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
PubChem CID66683749
Molecular FormulaC18H18FN3S
Molecular Weight327.43 g/mol
Exact Mass327.12
IUPAC Name6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCCc3ccc(-c4cccnc4F)cc32)CCS1
InChIInChI=1S/C18H18FN3S/c19-16-14(4-2-9-21-16)13-6-5-12-3-1-7-18(15(12)11-13)8-10-23-17(20)22-18/h2,4-6,9,11H,1,3,7-8,10H2,(H2,20,22)
InChIKeyVVLNAIPUHNCAKB-UHFFFAOYSA-N
XLogP3.87
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The IUPAC name of 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (CID 66683749) is 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.
What is the SMILES notation for 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The canonical SMILES for 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is NC1=NC2(CCCc3ccc(-c4cccnc4F)cc32)CCS1.
What is the InChIKey of 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The InChIKey is VVLNAIPUHNCAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3S/c19-16-14(4-2-9-21-16)13-6-5-12-3-1-7-18(15(12)11-13)8-10-23-17(20)22-18/h2,4-6,9,11H,1,3,7-8,10H2,(H2,20,22).
What are the key properties of 6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
6-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine has a molecular weight of 327.43 g/mol, XLogP of 3.87, 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)spiro[2,3-dihydro-1H-naphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is sourced from PubChem (CID 66683749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).