(4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine

C13H18FN3S — CID 59250980

IUPAC(4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine
SMILESCC1(C)C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C13H18FN3S/c1-12(2)7-13(3,17-11(16)18-12)9-6-8(15)4-5-10(9)14/h4-6H,7,15H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyXIZNQEBKDVBEHT-ZDUSSCGKSA-N
MW267.37 g/mol
LogP2.85
Rot. Bonds1

About (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine

(4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine (PubChem CID 59250980) has the molecular formula C13H18FN3S and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine
PubChem CID59250980
Molecular FormulaC13H18FN3S
Molecular Weight267.37 g/mol
Exact Mass267.12
IUPAC Name(4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine
SMILESCC1(C)C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C13H18FN3S/c1-12(2)7-13(3,17-11(16)18-12)9-6-8(15)4-5-10(9)14/h4-6H,7,15H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyXIZNQEBKDVBEHT-ZDUSSCGKSA-N
XLogP2.85
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.85
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 (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine (CID 59250980) is (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine is CC1(C)C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1.
What is the InChIKey of (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine?
The InChIKey is XIZNQEBKDVBEHT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FN3S/c1-12(2)7-13(3,17-11(16)18-12)9-6-8(15)4-5-10(9)14/h4-6H,7,15H2,1-3H3,(H2,16,17)/t13-/m0/s1.
What are the key properties of (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine?
(4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-amino-2-fluorophenyl)-4,6,6-trimethyl-5H-1,3-thiazin-2-amine is sourced from PubChem (CID 59250980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).