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

C16H13N3OS — CID 707596

IUPACN-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESC=CCN(C(=O)c1ccc2snnc2c1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-2-10-19(13-6-4-3-5-7-13)16(20)12-8-9-15-14(11-12)17-18-21-15/h2-9,11H,1,10H2
InChIKeyZVFAPMZUPKMFKT-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.52
Rot. Bonds4

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

N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 707596) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID707596
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESC=CCN(C(=O)c1ccc2snnc2c1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-2-10-19(13-6-4-3-5-7-13)16(20)12-8-9-15-14(11-12)17-18-21-15/h2-9,11H,1,10H2
InChIKeyZVFAPMZUPKMFKT-UHFFFAOYSA-N
XLogP3.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-propan-2-ylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 6623595
N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 707560
N-(4-methylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 1072933
N-benzyl-1,2,3-benzothiadiazole-6-carboxamide
CID 2726714
N-(3-bromophenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 4356406
N-(3,4-dimethylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 16012676
1,2,3-Benzothiadiazol-5-yl(1,4-thiazinan-4-yl)methanone
CID 707551
Benzo[1,2,3]thiadiazol-5-yl-(4-phenyl-piperazin-1-yl)-methanone
CID 707587
N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 2823335
Cambridge id 7087992
CID 2925640
N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 3149529
Benzo[1,2,3]thiadiazole-5-carboxylic acid propylamide
CID 3149533

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide (CID 707596) is N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide is C=CCN(C(=O)c1ccc2snnc2c1)c1ccccc1.
What is the InChIKey of N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is ZVFAPMZUPKMFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-2-10-19(13-6-4-3-5-7-13)16(20)12-8-9-15-14(11-12)17-18-21-15/h2-9,11H,1,10H2.
What are the key properties of N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide?
N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 707596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).