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

C13H17FN2S — CID 113376366

IUPACN-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(NC2=NC(C)CC(C)S2)cc1F
InChIInChI=1S/C13H17FN2S/c1-8-4-5-11(7-12(8)14)16-13-15-9(2)6-10(3)17-13/h4-5,7,9-10H,6H2,1-3H3,(H,15,16)
InChIKeyJTNHMLGZNSNQPA-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.82
Rot. Bonds1

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

N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113376366) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113376366
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(NC2=NC(C)CC(C)S2)cc1F
InChIInChI=1S/C13H17FN2S/c1-8-4-5-11(7-12(8)14)16-13-15-9(2)6-10(3)17-13/h4-5,7,9-10H,6H2,1-3H3,(H,15,16)
InChIKeyJTNHMLGZNSNQPA-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113376366) is N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(NC2=NC(C)CC(C)S2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is JTNHMLGZNSNQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-8-4-5-11(7-12(8)14)16-13-15-9(2)6-10(3)17-13/h4-5,7,9-10H,6H2,1-3H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 252.36 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113376366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).