4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine

C15H17FN2OS — CID 123562240

IUPAC4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
SMILESC#CC1(c2ccccc2F)CC(CCOC)SC(N)=N1
InChIInChI=1S/C15H17FN2OS/c1-3-15(12-6-4-5-7-13(12)16)10-11(8-9-19-2)20-14(17)18-15/h1,4-7,11H,8-10H2,2H3,(H2,17,18)
InChIKeyRMZCWVGETMKCSX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.51
Rot. Bonds4

About 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine

4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 123562240) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID123562240
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
SMILESC#CC1(c2ccccc2F)CC(CCOC)SC(N)=N1
InChIInChI=1S/C15H17FN2OS/c1-3-15(12-6-4-5-7-13(12)16)10-11(8-9-19-2)20-14(17)18-15/h1,4-7,11H,8-10H2,2H3,(H2,17,18)
InChIKeyRMZCWVGETMKCSX-UHFFFAOYSA-N
XLogP2.51
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
CID 123453243
N-[3-[2-amino-4-ethynyl-6-(methoxymethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 123786132
(5R,9R)-9-ethynyl-2,2-difluoro-9-(2-fluorophenyl)-5-methyl-6-thia-8-azaspiro[3.5]non-7-en-7-amine
CID 144942818
(1S,7S)-1-(2-fluorophenyl)-4-thia-2-azabicyclo[5.1.0]oct-2-en-3-amine
CID 71202291
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65013702
(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 143968493
N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine
CID 65017193
4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063858
3-(2-fluorophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3836304
1-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopropan-1-amine
CID 115920775
methyl (E)-3-[1-(2-fluorophenyl)cyclopropyl]prop-2-enoate
CID 171654772
5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
CID 79504623

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine (CID 123562240) is 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine is C#CC1(c2ccccc2F)CC(CCOC)SC(N)=N1.
What is the InChIKey of 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is RMZCWVGETMKCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-3-15(12-6-4-5-7-13(12)16)10-11(8-9-19-2)20-14(17)18-15/h1,4-7,11H,8-10H2,2H3,(H2,17,18).
What are the key properties of 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 123562240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).