N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide

C12H12N4OS2 — CID 2055475

IUPACN,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESCN(C)C(=O)CSc1nnc2sc3ccccc3n12
InChIInChI=1S/C12H12N4OS2/c1-15(2)10(17)7-18-11-13-14-12-16(11)8-5-3-4-6-9(8)19-12/h3-6H,7H2,1-2H3
InChIKeyAYJKTWYFMKQOBS-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.12
Rot. Bonds3

About N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide

N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (PubChem CID 2055475) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
PubChem CID2055475
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC NameN,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESCN(C)C(=O)CSc1nnc2sc3ccccc3n12
InChIInChI=1S/C12H12N4OS2/c1-15(2)10(17)7-18-11-13-14-12-16(11)8-5-3-4-6-9(8)19-12/h3-6H,7H2,1-2H3
InChIKeyAYJKTWYFMKQOBS-UHFFFAOYSA-N
XLogP2.12
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The IUPAC name of N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (CID 2055475) is N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The canonical SMILES for N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is CN(C)C(=O)CSc1nnc2sc3ccccc3n12.
What is the InChIKey of N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The InChIKey is AYJKTWYFMKQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-15(2)10(17)7-18-11-13-14-12-16(11)8-5-3-4-6-9(8)19-12/h3-6H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide has a molecular weight of 292.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is sourced from PubChem (CID 2055475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).