N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H10BrFN2S — CID 29068135

IUPACN-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cc(Br)ccc1NC1=NCCCS1
InChIInChI=1S/C10H10BrFN2S/c11-7-2-3-9(8(12)6-7)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyXDDSMVMTFCYMQN-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.49
Rot. Bonds1

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

N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 29068135) has the molecular formula C10H10BrFN2S and a molecular weight of 289.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID29068135
Molecular FormulaC10H10BrFN2S
Molecular Weight289.17 g/mol
Exact Mass287.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cc(Br)ccc1NC1=NCCCS1
InChIInChI=1S/C10H10BrFN2S/c11-7-2-3-9(8(12)6-7)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyXDDSMVMTFCYMQN-UHFFFAOYSA-N
XLogP3.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-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-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 29068135) is N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1cc(Br)ccc1NC1=NCCCS1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XDDSMVMTFCYMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2S/c11-7-2-3-9(8(12)6-7)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 289.17 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 29068135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).