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

C19H20FN3S — CID 53494434

IUPAC6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cccnc3F)cc2C2(CSC(N)=N2)C1
InChIInChI=1S/C19H20FN3S/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23)
InChIKeyLITFXRRTCOLEKB-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.12
Rot. Bonds1

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

6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine (PubChem CID 53494434) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine
PubChem CID53494434
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cccnc3F)cc2C2(CSC(N)=N2)C1
InChIInChI=1S/C19H20FN3S/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23)
InChIKeyLITFXRRTCOLEKB-UHFFFAOYSA-N
XLogP4.12
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.12
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)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine?
The IUPAC name of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine (CID 53494434) is 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine.
What is the SMILES notation for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine?
The canonical SMILES for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine is CC1(C)Cc2ccc(-c3cccnc3F)cc2C2(CSC(N)=N2)C1.
What is the InChIKey of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine?
The InChIKey is LITFXRRTCOLEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23).
What are the key properties of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine?
6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-thiazole]-2'-amine has a molecular weight of 341.46 g/mol, XLogP of 4.12, 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'-5H-1,3-thiazole]-2'-amine is sourced from PubChem (CID 53494434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).