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

C18H19F2N3O2S — CID 51351953

IUPAC(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1cccc([C@@H]2[C@@](C)(c3cc(F)ccc3F)N=C(N)N(C)S2(=O)=O)c1
InChIInChI=1S/C18H19F2N3O2S/c1-11-5-4-6-12(9-11)16-18(2,14-10-13(19)7-8-15(14)20)22-17(21)23(3)26(16,24)25/h4-10,16H,1-3H3,(H2,21,22)/t16-,18-/m1/s1
InChIKeyYSOHZGJEWOERMC-SJLPKXTDSA-N
MW379.43 g/mol
LogP2.82
Rot. Bonds2

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

(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 51351953) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID51351953
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1cccc([C@@H]2[C@@](C)(c3cc(F)ccc3F)N=C(N)N(C)S2(=O)=O)c1
InChIInChI=1S/C18H19F2N3O2S/c1-11-5-4-6-12(9-11)16-18(2,14-10-13(19)7-8-15(14)20)22-17(21)23(3)26(16,24)25/h4-10,16H,1-3H3,(H2,21,22)/t16-,18-/m1/s1
InChIKeyYSOHZGJEWOERMC-SJLPKXTDSA-N
XLogP2.82
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.82
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-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 51351953) is (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is Cc1cccc([C@@H]2[C@@](C)(c3cc(F)ccc3F)N=C(N)N(C)S2(=O)=O)c1.
What is the InChIKey of (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is YSOHZGJEWOERMC-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-11-5-4-6-12(9-11)16-18(2,14-10-13(19)7-8-15(14)20)22-17(21)23(3)26(16,24)25/h4-10,16H,1-3H3,(H2,21,22)/t16-,18-/m1/s1.
What are the key properties of (5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 379.43 g/mol, XLogP of 2.82, 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-6-(3-methylphenyl)-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 51351953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).