(5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C15H16FN3O2S2 — CID 51352100

IUPAC(5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2ccc(-c3cccc(F)c3)s2)CS1(=O)=O
InChIInChI=1S/C15H16FN3O2S2/c1-15(9-23(20,21)19(2)14(17)18-15)13-7-6-12(22-13)10-4-3-5-11(16)8-10/h3-8H,9H2,1-2H3,(H2,17,18)/t15-/m0/s1
InChIKeyJHPABUJHNJFOCF-HNNXBMFYSA-N
MW353.44 g/mol
LogP2.36
Rot. Bonds2

About (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

(5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 51352100) has the molecular formula C15H16FN3O2S2 and a molecular weight of 353.44 g/mol. Its IUPAC name is (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID51352100
Molecular FormulaC15H16FN3O2S2
Molecular Weight353.44 g/mol
Exact Mass353.07
IUPAC Name(5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2ccc(-c3cccc(F)c3)s2)CS1(=O)=O
InChIInChI=1S/C15H16FN3O2S2/c1-15(9-23(20,21)19(2)14(17)18-15)13-7-6-12(22-13)10-4-3-5-11(16)8-10/h3-8H,9H2,1-2H3,(H2,17,18)/t15-/m0/s1
InChIKeyJHPABUJHNJFOCF-HNNXBMFYSA-N
XLogP2.36
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 51352100) is (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2ccc(-c3cccc(F)c3)s2)CS1(=O)=O.
What is the InChIKey of (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is JHPABUJHNJFOCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16FN3O2S2/c1-15(9-23(20,21)19(2)14(17)18-15)13-7-6-12(22-13)10-4-3-5-11(16)8-10/h3-8H,9H2,1-2H3,(H2,17,18)/t15-/m0/s1.
What are the key properties of (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 353.44 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 51352100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).