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

C10H8N4OS2 — CID 2383579

IUPAC2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESNC(=O)CSc1nnc2sc3ccccc3n12
InChIInChI=1S/C10H8N4OS2/c11-8(15)5-16-9-12-13-10-14(9)6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H2,11,15)
InChIKeyKUMMJSXOALWYFQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.52
Rot. Bonds3

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

2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (PubChem CID 2383579) has the molecular formula C10H8N4OS2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
PubChem CID2383579
Molecular FormulaC10H8N4OS2
Molecular Weight264.33 g/mol
Exact Mass264.01
IUPAC Name2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
SMILESNC(=O)CSc1nnc2sc3ccccc3n12
InChIInChI=1S/C10H8N4OS2/c11-8(15)5-16-9-12-13-10-14(9)6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H2,11,15)
InChIKeyKUMMJSXOALWYFQ-UHFFFAOYSA-N
XLogP1.52
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tetrazolo[5,1-b]benzothiazole
CID 346470
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
7-Thia-2,4,5-triazatricyclo(6.4.0.0,2,6)dodeca-1(12),3,5,8,10-pentaene
CID 254568
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 798478
N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanamine
CID 888955
[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid
CID 653652
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 655769
N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861214
2-(Benzothiazol-2-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 974241
N-Benzothiazol-2-yl-2-[1-(3-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1449797
N-(1,3-benzothiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1966389
N,N-dimethyl-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide
CID 2055475

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The IUPAC name of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide (CID 2383579) is 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
What is the SMILES notation for 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The canonical SMILES for 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is NC(=O)CSc1nnc2sc3ccccc3n12.
What is the InChIKey of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
The InChIKey is KUMMJSXOALWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS2/c11-8(15)5-16-9-12-13-10-14(9)6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H2,11,15).
What are the key properties of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide?
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide is sourced from PubChem (CID 2383579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).