2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine

C15H11F2N3S — CID 11141209

IUPAC2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine
SMILESNC1=NC(c2ccc(F)cc2)=NC(c2ccc(F)cc2)S1
InChIInChI=1S/C15H11F2N3S/c16-11-5-1-9(2-6-11)13-19-14(21-15(18)20-13)10-3-7-12(17)8-4-10/h1-8,14H,(H2,18,19,20)
InChIKeyVDKOYANMMRPPDK-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.47
Rot. Bonds2

About 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine

2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine (PubChem CID 11141209) has the molecular formula C15H11F2N3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine
PubChem CID11141209
Molecular FormulaC15H11F2N3S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine
SMILESNC1=NC(c2ccc(F)cc2)=NC(c2ccc(F)cc2)S1
InChIInChI=1S/C15H11F2N3S/c16-11-5-1-9(2-6-11)13-19-14(21-15(18)20-13)10-3-7-12(17)8-4-10/h1-8,14H,(H2,18,19,20)
InChIKeyVDKOYANMMRPPDK-UHFFFAOYSA-N
XLogP3.47
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(3,4-difluorophenyl)-3-methyl-6H-1,3,4-thiadiazin-2-imine
CID 4968925
N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135439878
N-benzyl-5-(3,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135512250
Benzyl N-benzylcarbamimidothioate--hydrogen chloride (1/1)
CID 3056804
4-(4-Fluorophenyl)-6-phenyl-4 h-1,3-thiazin-2-amine
CID 11185215
4-Imino-2-trifluoromethyl-3,4-dihydro-2h-benzo[1,3]thiazine
CID 129870738
4-(3,4-Difluorophenyl)-6-phenyl-4 h-1,3-thiazin-2-amine
CID 129874407
benzyl (NZ)-N-[amino(phenyl)methylidene]carbamodithioate
CID 134831226
methyl N-[bis(4-fluorophenyl)methyl]imidothiocarbamate
CID 6341940
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazole
CID 76312493
N'-[(Z)-1-benzylsulfanyl-2-cyano-3,3,3-trifluoroprop-1-enyl]benzenecarboximidamide
CID 1881262
N'-[(1Z)-1-(benzylsulfanyl)-2-cyano-3,3,3-trifluoroprop-1-en-1-yl]benzenecarboximidamide
CID 9602468

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine?
The IUPAC name of 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine (CID 11141209) is 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine is NC1=NC(c2ccc(F)cc2)=NC(c2ccc(F)cc2)S1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine?
The InChIKey is VDKOYANMMRPPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3S/c16-11-5-1-9(2-6-11)13-19-14(21-15(18)20-13)10-3-7-12(17)8-4-10/h1-8,14H,(H2,18,19,20).
What are the key properties of 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine?
2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine has a molecular weight of 303.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-2H-1,3,5-thiadiazin-6-amine is sourced from PubChem (CID 11141209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).