N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide

C8H9N3OS — CID 1204329

IUPACN-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2c1NSN2
InChIInChI=1S/C8H9N3OS/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4,10-11H,1H3,(H,9,12)
InChIKeyRIUYDBDVRQKBTN-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds1

About N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide

N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 1204329) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID1204329
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC NameN-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2c1NSN2
InChIInChI=1S/C8H9N3OS/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4,10-11H,1H3,(H,9,12)
InChIKeyRIUYDBDVRQKBTN-UHFFFAOYSA-N
XLogP2.05
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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ethane;N-(2-fluoro-3-methylphenyl)acetamide
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N-(3-acetamidoazulen-1-yl)acetamide
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CID 175230643

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide (CID 1204329) is N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide is CC(=O)Nc1cccc2c1NSN2.
What is the InChIKey of N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is RIUYDBDVRQKBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4,10-11H,1H3,(H,9,12).
What are the key properties of N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide?
N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 195.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 1204329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).