(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine

C17H17F2N3O2S — CID 51352082

IUPAC(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(F)ccc2F)[C@@H](c2ccccc2)S1(=O)=O
InChIInChI=1S/C17H17F2N3O2S/c1-17(13-10-12(18)8-9-14(13)19)15(11-6-4-3-5-7-11)25(23,24)22(2)16(20)21-17/h3-10,15H,1-2H3,(H2,20,21)/t15-,17-/m1/s1
InChIKeyJZKBBTCFMNAFGJ-NVXWUHKLSA-N
MW365.41 g/mol
LogP2.51
Rot. Bonds2

About (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine

(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine (PubChem CID 51352082) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine
PubChem CID51352082
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(F)ccc2F)[C@@H](c2ccccc2)S1(=O)=O
InChIInChI=1S/C17H17F2N3O2S/c1-17(13-10-12(18)8-9-14(13)19)15(11-6-4-3-5-7-11)25(23,24)22(2)16(20)21-17/h3-10,15H,1-2H3,(H2,20,21)/t15-,17-/m1/s1
InChIKeyJZKBBTCFMNAFGJ-NVXWUHKLSA-N
XLogP2.51
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine (CID 51352082) is (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2cc(F)ccc2F)[C@@H](c2ccccc2)S1(=O)=O.
What is the InChIKey of (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is JZKBBTCFMNAFGJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-17(13-10-12(18)8-9-14(13)19)15(11-6-4-3-5-7-11)25(23,24)22(2)16(20)21-17/h3-10,15H,1-2H3,(H2,20,21)/t15-,17-/m1/s1.
What are the key properties of (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine?
(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 365.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 51352082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).