5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine

C15H13FN6O2S2 — CID 134422981

IUPAC5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2cc(-c3nnc(-c4cncs4)o3)ccc2F)CS1=O
InChIInChI=1S/C15H13FN6O2S2/c1-22-15(17)19-11(6-26(22)23)9-4-8(2-3-10(9)16)13-20-21-14(24-13)12-5-18-7-25-12/h2-5,7,11H,6H2,1H3,(H2,17,19)
InChIKeyOUTRWHZQOUCXOQ-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.96
Rot. Bonds3

About 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine

5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (PubChem CID 134422981) has the molecular formula C15H13FN6O2S2 and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
PubChem CID134422981
Molecular FormulaC15H13FN6O2S2
Molecular Weight392.44 g/mol
Exact Mass392.05
IUPAC Name5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2cc(-c3nnc(-c4cncs4)o3)ccc2F)CS1=O
InChIInChI=1S/C15H13FN6O2S2/c1-22-15(17)19-11(6-26(22)23)9-4-8(2-3-10(9)16)13-20-21-14(24-13)12-5-18-7-25-12/h2-5,7,11H,6H2,1H3,(H2,17,19)
InChIKeyOUTRWHZQOUCXOQ-UHFFFAOYSA-N
XLogP1.96
TPSA110.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine with MolForge

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Related Compounds

(5R)-5-[2-fluoro-5-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 73776739
(5S)-2,5-dimethyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222681
(5R)-5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 73776740
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1170458
5-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-amine
CID 83325562
5-[3-Fluoro-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 134480438
(5S)-5-[5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222682
(5R)-5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 161116023
(5R)-5-[2-fluoro-5-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 161116024
5-(5-Phenyl-1,3,4-oxadiazol-2-yl)thiazol-2-amine
CID 83301136
2,5-dimethyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123779948
2-Methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 134480200

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (CID 134422981) is 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is CN1C(N)=NC(c2cc(-c3nnc(-c4cncs4)o3)ccc2F)CS1=O.
What is the InChIKey of 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The InChIKey is OUTRWHZQOUCXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2S2/c1-22-15(17)19-11(6-26(22)23)9-4-8(2-3-10(9)16)13-20-21-14(24-13)12-5-18-7-25-12/h2-5,7,11H,6H2,1H3,(H2,17,19).
What are the key properties of 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine has a molecular weight of 392.44 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 134422981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).