(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

C20H21F4N3O2S — CID 51351881

IUPAC(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
SMILESCCC(F)(F)c1ccc([C@@H]2[C@@](C)(c3cc(F)ccc3F)N=C(N)N(C)S2(=O)=O)cc1
InChIInChI=1S/C20H21F4N3O2S/c1-4-20(23,24)13-7-5-12(6-8-13)17-19(2,15-11-14(21)9-10-16(15)22)26-18(25)27(3)30(17,28)29/h5-11,17H,4H2,1-3H3,(H2,25,26)/t17-,19-/m1/s1
InChIKeyVUCUKJDLOAJPPC-IEBWSBKVSA-N
MW443.47 g/mol
LogP4.01
Rot. Bonds4

About (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

(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 (PubChem CID 51351881) has the molecular formula C20H21F4N3O2S and a molecular weight of 443.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID51351881
Molecular FormulaC20H21F4N3O2S
Molecular Weight443.47 g/mol
Exact Mass443.13
IUPAC Name(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
SMILESCCC(F)(F)c1ccc([C@@H]2[C@@](C)(c3cc(F)ccc3F)N=C(N)N(C)S2(=O)=O)cc1
InChIInChI=1S/C20H21F4N3O2S/c1-4-20(23,24)13-7-5-12(6-8-13)17-19(2,15-11-14(21)9-10-16(15)22)26-18(25)27(3)30(17,28)29/h5-11,17H,4H2,1-3H3,(H2,25,26)/t17-,19-/m1/s1
InChIKeyVUCUKJDLOAJPPC-IEBWSBKVSA-N
XLogP4.01
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 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

(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine
CID 89095299
(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-[3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-5-amine
CID 89095402
US11021493, Example 212
CID 135125014
(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-[3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-5-amine
CID 89095408
1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide
CID 19385954
(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)-6-(4-tert-butylphenyl)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351841
(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-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)-5-(2,5-difluorophenyl)-6-[4-(1,1-difluoropropyl)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCC(F)(F)c1ccc([C@@H]2[C@@](C)(c3cc(F)ccc3F)N=C(N)N(C)S2(=O)=O)cc1.
What is the InChIKey of (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?
The InChIKey is VUCUKJDLOAJPPC-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H21F4N3O2S/c1-4-20(23,24)13-7-5-12(6-8-13)17-19(2,15-11-14(21)9-10-16(15)22)26-18(25)27(3)30(17,28)29/h5-11,17H,4H2,1-3H3,(H2,25,26)/t17-,19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 443.47 g/mol, XLogP of 4.01, 4 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)-6-[4-(1,1-difluoropropyl)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 51351881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).