4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine

C17H16FN3S — CID 76770296

IUPAC4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
SMILESCC1(c2cc(N)ccc2F)C=C(c2ccccc2)SC(N)=N1
InChIInChI=1S/C17H16FN3S/c1-17(13-9-12(19)7-8-14(13)18)10-15(22-16(20)21-17)11-5-3-2-4-6-11/h2-10H,19H2,1H3,(H2,20,21)
InChIKeyRIWREROXUYAONN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.73
Rot. Bonds2

About 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine

4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine (PubChem CID 76770296) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
PubChem CID76770296
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
SMILESCC1(c2cc(N)ccc2F)C=C(c2ccccc2)SC(N)=N1
InChIInChI=1S/C17H16FN3S/c1-17(13-9-12(19)7-8-14(13)18)10-15(22-16(20)21-17)11-5-3-2-4-6-11/h2-10H,19H2,1H3,(H2,20,21)
InChIKeyRIWREROXUYAONN-UHFFFAOYSA-N
XLogP3.73
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The IUPAC name of 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine (CID 76770296) is 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine is CC1(c2cc(N)ccc2F)C=C(c2ccccc2)SC(N)=N1.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The InChIKey is RIWREROXUYAONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c1-17(13-9-12(19)7-8-14(13)18)10-15(22-16(20)21-17)11-5-3-2-4-6-11/h2-10H,19H2,1H3,(H2,20,21).
What are the key properties of 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine is sourced from PubChem (CID 76770296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).