4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine

C16H12ClFN2S — CID 3740915

IUPAC4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine
SMILESNC1=NC(c2ccc(Cl)cc2)=CC(c2ccc(F)cc2)S1
InChIInChI=1S/C16H12ClFN2S/c17-12-5-1-10(2-6-12)14-9-15(21-16(19)20-14)11-3-7-13(18)8-4-11/h1-9,15H,(H2,19,20)
InChIKeyLLDYQVNFVDGWMZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.62
Rot. Bonds2

About 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine

4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine (PubChem CID 3740915) has the molecular formula C16H12ClFN2S and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine
PubChem CID3740915
Molecular FormulaC16H12ClFN2S
Molecular Weight318.80 g/mol
Exact Mass318.04
IUPAC Name4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine
SMILESNC1=NC(c2ccc(Cl)cc2)=CC(c2ccc(F)cc2)S1
InChIInChI=1S/C16H12ClFN2S/c17-12-5-1-10(2-6-12)14-9-15(21-16(19)20-14)11-3-7-13(18)8-4-11/h1-9,15H,(H2,19,20)
InChIKeyLLDYQVNFVDGWMZ-UHFFFAOYSA-N
XLogP4.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine (CID 3740915) is 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine is NC1=NC(c2ccc(Cl)cc2)=CC(c2ccc(F)cc2)S1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine?
The InChIKey is LLDYQVNFVDGWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2S/c17-12-5-1-10(2-6-12)14-9-15(21-16(19)20-14)11-3-7-13(18)8-4-11/h1-9,15H,(H2,19,20).
What are the key properties of 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine?
4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine has a molecular weight of 318.80 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine is sourced from PubChem (CID 3740915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).