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

C21H25F2N3O2S — CID 51351841

IUPAC(5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(F)ccc2F)[C@@H](c2ccc(C(C)(C)C)cc2)S1(=O)=O
InChIInChI=1S/C21H25F2N3O2S/c1-20(2,3)14-8-6-13(7-9-14)18-21(4,16-12-15(22)10-11-17(16)23)25-19(24)26(5)29(18,27)28/h6-12,18H,1-5H3,(H2,24,25)/t18-,21-/m1/s1
InChIKeyGUZOWHQUFRNCAB-WIYYLYMNSA-N
MW421.51 g/mol
LogP3.81
Rot. Bonds2

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

(5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 51351841) has the molecular formula C21H25F2N3O2S and a molecular weight of 421.51 g/mol. Its IUPAC name is (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID51351841
Molecular FormulaC21H25F2N3O2S
Molecular Weight421.51 g/mol
Exact Mass421.16
IUPAC Name(5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(F)ccc2F)[C@@H](c2ccc(C(C)(C)C)cc2)S1(=O)=O
InChIInChI=1S/C21H25F2N3O2S/c1-20(2,3)14-8-6-13(7-9-14)18-21(4,16-12-15(22)10-11-17(16)23)25-19(24)26(5)29(18,27)28/h6-12,18H,1-5H3,(H2,24,25)/t18-,21-/m1/s1
InChIKeyGUZOWHQUFRNCAB-WIYYLYMNSA-N
XLogP3.81
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[[4-(dimethylamino)-4-(3-fluorophenyl)-1-methylcyclohexyl]methyl]-2-phenylethenesulfonamide
CID 44252682
(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine
CID 89095299
US11021493, Example 212
CID 135125014
(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[4-(trifluoromethyl)phenyl]-6H-1,2,4-thiadiazin-3-amine
CID 51039261
(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-6H-1,2,4-thiadiazin-3-amine
CID 51351842
(5R,6R)-6-[4-(1,1-difluoroethyl)phenyl]-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351843
(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-[4-(3-methyloxetan-3-yl)phenyl]-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351844
(5R,6R)-5-(2,5-difluorophenyl)-6-[4-(1,1-difluoropropyl)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351881
1-[4-[(5R,6R)-3-amino-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-6-yl]-2-fluorophenyl]-2,2-dimethylpropan-1-one
CID 51351915
1-[4-[(5R,6R)-3-amino-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-6-yl]phenyl]-2,2-dimethylpropan-1-one
CID 51351916
(5R,6R)-5-(2,5-difluorophenyl)-6-[4-(1-ethoxy-2-methylpropan-2-yl)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351917
(5R,6R)-5-(2,5-difluorophenyl)-6-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351918

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 51351841) is (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2cc(F)ccc2F)[C@@H](c2ccc(C(C)(C)C)cc2)S1(=O)=O.
What is the InChIKey of (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is GUZOWHQUFRNCAB-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H25F2N3O2S/c1-20(2,3)14-8-6-13(7-9-14)18-21(4,16-12-15(22)10-11-17(16)23)25-19(24)26(5)29(18,27)28/h6-12,18H,1-5H3,(H2,24,25)/t18-,21-/m1/s1.
What are the key properties of (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 421.51 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 51351841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).