N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide

C10H9N3OS — CID 3149527

IUPACN-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H9N3OS/c1-2-5-11-10(14)7-3-4-9-8(6-7)12-13-15-9/h2-4,6H,1,5H2,(H,11,14)
InChIKeyAXXBQSGEEHXXAB-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.61
Rot. Bonds3

About N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide

N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 3149527) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID3149527
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H9N3OS/c1-2-5-11-10(14)7-3-4-9-8(6-7)12-13-15-9/h2-4,6H,1,5H2,(H,11,14)
InChIKeyAXXBQSGEEHXXAB-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-prop-2-enylquinoxaline-6-carboxamide
CID 2256092
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
N-[2-(1H-indol-2-yl)ethyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620476
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
N-[(1-acetylpyrrolidin-2-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 166316174
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 46261955
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
N-prop-2-enylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 134799840

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide (CID 3149527) is N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide is C=CCNC(=O)c1ccc2snnc2c1.
What is the InChIKey of N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is AXXBQSGEEHXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-2-5-11-10(14)7-3-4-9-8(6-7)12-13-15-9/h2-4,6H,1,5H2,(H,11,14).
What are the key properties of N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 3149527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).