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

C16H15N5O2S2 — CID 134480287

IUPAC2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2cc(-c3cccc(-c4nnco4)c3)cs2)CS1=O
InChIInChI=1S/C16H15N5O2S2/c1-21-16(17)19-13(8-25(21)22)14-6-12(7-24-14)10-3-2-4-11(5-10)15-20-18-9-23-15/h2-7,9,13H,8H2,1H3,(H2,17,19)
InChIKeyUYTOOOZAHFVZPY-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.43
Rot. Bonds3

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

2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (PubChem CID 134480287) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
PubChem CID134480287
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC Name2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2cc(-c3cccc(-c4nnco4)c3)cs2)CS1=O
InChIInChI=1S/C16H15N5O2S2/c1-21-16(17)19-13(8-25(21)22)14-6-12(7-24-14)10-3-2-4-11(5-10)15-20-18-9-23-15/h2-7,9,13H,8H2,1H3,(H2,17,19)
InChIKeyUYTOOOZAHFVZPY-UHFFFAOYSA-N
XLogP2.43
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The IUPAC name of 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (CID 134480287) is 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is CN1C(N)=NC(c2cc(-c3cccc(-c4nnco4)c3)cs2)CS1=O.
What is the InChIKey of 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The InChIKey is UYTOOOZAHFVZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c1-21-16(17)19-13(8-25(21)22)14-6-12(7-24-14)10-3-2-4-11(5-10)15-20-18-9-23-15/h2-7,9,13H,8H2,1H3,(H2,17,19).
What are the key properties of 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine has a molecular weight of 373.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 134480287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).