N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C16H23FN2S — CID 106351775

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(Cc1ccc(F)cc1)NC1=NC(C(C)C)CCS1
InChIInChI=1S/C16H23FN2S/c1-11(2)15-8-9-20-16(19-15)18-12(3)10-13-4-6-14(17)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3,(H,18,19)
InChIKeyFDEZWEVKLBDYDZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.86
Rot. Bonds4

About N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351775) has the molecular formula C16H23FN2S and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351775
Molecular FormulaC16H23FN2S
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(Cc1ccc(F)cc1)NC1=NC(C(C)C)CCS1
InChIInChI=1S/C16H23FN2S/c1-11(2)15-8-9-20-16(19-15)18-12(3)10-13-4-6-14(17)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3,(H,18,19)
InChIKeyFDEZWEVKLBDYDZ-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-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-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351775) is N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(Cc1ccc(F)cc1)NC1=NC(C(C)C)CCS1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FDEZWEVKLBDYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2S/c1-11(2)15-8-9-20-16(19-15)18-12(3)10-13-4-6-14(17)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).