(6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H18FN3S — CID 145015682

IUPAC(6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(N)cc(C2N=C(N)S[C@@H](C)C2C)c1F
InChIInChI=1S/C13H18FN3S/c1-6-4-9(15)5-10(11(6)14)12-7(2)8(3)18-13(16)17-12/h4-5,7-8,12H,15H2,1-3H3,(H2,16,17)/t7?,8-,12?/m0/s1
InChIKeyXYHBNDDYULSLRJ-XIGTVVQJSA-N
MW267.37 g/mol
LogP2.84
Rot. Bonds1

About (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

(6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 145015682) has the molecular formula C13H18FN3S and a molecular weight of 267.37 g/mol. Its IUPAC name is (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID145015682
Molecular FormulaC13H18FN3S
Molecular Weight267.37 g/mol
Exact Mass267.12
IUPAC Name(6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(N)cc(C2N=C(N)S[C@@H](C)C2C)c1F
InChIInChI=1S/C13H18FN3S/c1-6-4-9(15)5-10(11(6)14)12-7(2)8(3)18-13(16)17-12/h4-5,7-8,12H,15H2,1-3H3,(H2,16,17)/t7?,8-,12?/m0/s1
InChIKeyXYHBNDDYULSLRJ-XIGTVVQJSA-N
XLogP2.84
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 ≤ 52.84
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 (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 145015682) is (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1cc(N)cc(C2N=C(N)S[C@@H](C)C2C)c1F.
What is the InChIKey of (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XYHBNDDYULSLRJ-XIGTVVQJSA-N. The full InChI is InChI=1S/C13H18FN3S/c1-6-4-9(15)5-10(11(6)14)12-7(2)8(3)18-13(16)17-12/h4-5,7-8,12H,15H2,1-3H3,(H2,16,17)/t7?,8-,12?/m0/s1.
What are the key properties of (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
(6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(5-amino-2-fluoro-3-methylphenyl)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 145015682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).