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

C11H13FN2S — CID 29068304

IUPACN-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(F)ccc1NC1=NCCCS1
InChIInChI=1S/C11H13FN2S/c1-8-7-9(12)3-4-10(8)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyMHZNGMIHJOUDGC-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.04
Rot. Bonds1

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

N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 29068304) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID29068304
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(F)ccc1NC1=NCCCS1
InChIInChI=1S/C11H13FN2S/c1-8-7-9(12)3-4-10(8)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyMHZNGMIHJOUDGC-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 29068304) is N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1cc(F)ccc1NC1=NCCCS1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MHZNGMIHJOUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-8-7-9(12)3-4-10(8)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 224.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 29068304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).