N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide

C10H11N3O2S — CID 3149529

IUPACN-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H11N3O2S/c1-15-5-4-11-10(14)7-2-3-9-8(6-7)12-13-16-9/h2-3,6H,4-5H2,1H3,(H,11,14)
InChIKeyWDZBMGLFBBNBOI-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.07
Rot. Bonds4

About N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide

N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 3149529) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID3149529
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H11N3O2S/c1-15-5-4-11-10(14)7-2-3-9-8(6-7)12-13-16-9/h2-3,6H,4-5H2,1H3,(H,11,14)
InChIKeyWDZBMGLFBBNBOI-UHFFFAOYSA-N
XLogP1.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide (CID 3149529) is N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide is COCCNC(=O)c1ccc2snnc2c1.
What is the InChIKey of N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is WDZBMGLFBBNBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-5-4-11-10(14)7-2-3-9-8(6-7)12-13-16-9/h2-3,6H,4-5H2,1H3,(H,11,14).
What are the key properties of N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide?
N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 3149529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).