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

C14H16N4OS2 — CID 2612661

IUPACN,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1nnc2sc3ccccc3n12
InChIInChI=1S/C14H16N4OS2/c1-3-17(4-2)12(19)9-20-13-15-16-14-18(13)10-7-5-6-8-11(10)21-14/h5-8H,3-4,9H2,1-2H3
InChIKeyODULINBJVSVLPK-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.90
Rot. Bonds5

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

N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (PubChem CID 2612661) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
PubChem CID2612661
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC NameN,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1nnc2sc3ccccc3n12
InChIInChI=1S/C14H16N4OS2/c1-3-17(4-2)12(19)9-20-13-15-16-14-18(13)10-7-5-6-8-11(10)21-14/h5-8H,3-4,9H2,1-2H3
InChIKeyODULINBJVSVLPK-UHFFFAOYSA-N
XLogP2.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (CID 2612661) is N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is CCN(CC)C(=O)CSc1nnc2sc3ccccc3n12.
What is the InChIKey of N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The InChIKey is ODULINBJVSVLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-3-17(4-2)12(19)9-20-13-15-16-14-18(13)10-7-5-6-8-11(10)21-14/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is sourced from PubChem (CID 2612661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).