N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide

C12H9ClN4O2S — CID 2953371

IUPACN-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide
SMILESO=C(CC1Sc2ncnn2C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN4O2S/c13-7-1-3-8(4-2-7)16-10(18)5-9-11(19)17-12(20-9)14-6-15-17/h1-4,6,9H,5H2,(H,16,18)
InChIKeyOEXSWCFRUVZCEN-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.07
Rot. Bonds3

About N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide

N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide (PubChem CID 2953371) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide
PubChem CID2953371
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC NameN-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide
SMILESO=C(CC1Sc2ncnn2C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN4O2S/c13-7-1-3-8(4-2-7)16-10(18)5-9-11(19)17-12(20-9)14-6-15-17/h1-4,6,9H,5H2,(H,16,18)
InChIKeyOEXSWCFRUVZCEN-UHFFFAOYSA-N
XLogP2.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide (CID 2953371) is N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide is O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide?
The InChIKey is OEXSWCFRUVZCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-7-1-3-8(4-2-7)16-10(18)5-9-11(19)17-12(20-9)14-6-15-17/h1-4,6,9H,5H2,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide?
N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide has a molecular weight of 308.75 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide is sourced from PubChem (CID 2953371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).