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

C15H20FN3OS — CID 123453243

IUPAC4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
SMILESC=CC1(c2cc(N)ccc2F)CC(CCOC)SC(N)=N1
InChIInChI=1S/C15H20FN3OS/c1-3-15(12-8-10(17)4-5-13(12)16)9-11(6-7-20-2)21-14(18)19-15/h3-5,8,11H,1,6-7,9,17H2,2H3,(H2,18,19)
InChIKeyRJCIUIIZGNVPKS-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.65
Rot. Bonds5

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

4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 123453243) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID123453243
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC Name4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
SMILESC=CC1(c2cc(N)ccc2F)CC(CCOC)SC(N)=N1
InChIInChI=1S/C15H20FN3OS/c1-3-15(12-8-10(17)4-5-13(12)16)9-11(6-7-20-2)21-14(18)19-15/h3-5,8,11H,1,6-7,9,17H2,2H3,(H2,18,19)
InChIKeyRJCIUIIZGNVPKS-UHFFFAOYSA-N
XLogP2.65
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine
CID 123562240
(1S,5S)-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 126488038
(4S,5S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 126488035
(1S,5S,6S,7S)-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-7-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 145015765
(5S,6R)-5-(5-amino-2-fluorophenyl)-5-(methoxymethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 90441882
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
(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol
CID 58377103
4-fluoro-3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)aniline
CID 14708881
(4S)-4-(5-amino-2-fluorophenyl)-6-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazin-2-amine
CID 89097539
(5R)-5-(5-amino-2-fluorophenyl)-2-ethyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 89095033
tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-thiazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59250441
(4R,5S)-5-(5-amino-2-fluorophenyl)-5-methyl-4-(trifluoromethyl)-3,4-dihydropyrrol-2-amine
CID 121433110

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine (CID 123453243) is 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine is C=CC1(c2cc(N)ccc2F)CC(CCOC)SC(N)=N1.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is RJCIUIIZGNVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-3-15(12-8-10(17)4-5-13(12)16)9-11(6-7-20-2)21-14(18)19-15/h3-5,8,11H,1,6-7,9,17H2,2H3,(H2,18,19).
What are the key properties of 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine?
4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 309.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluorophenyl)-4-ethenyl-6-(2-methoxyethyl)-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 123453243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).