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

C11H13FN2S — CID 29068275

IUPACN-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(F)cc1NC1=NCCCS1
InChIInChI=1S/C11H13FN2S/c1-8-3-4-9(12)7-10(8)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyDPWBZJWQANTPMS-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.04
Rot. Bonds1

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

N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 29068275) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID29068275
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(F)cc1NC1=NCCCS1
InChIInChI=1S/C11H13FN2S/c1-8-3-4-9(12)7-10(8)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyDPWBZJWQANTPMS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 29068275) is N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(F)cc1NC1=NCCCS1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DPWBZJWQANTPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-8-3-4-9(12)7-10(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-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(5-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-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 29068275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).