1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide

C8H8N2O3S — CID 152537696

IUPAC1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)C1Nc2ccccc2S1(=O)=O
InChIInChI=1S/C8H8N2O3S/c9-7(11)8-10-5-3-1-2-4-6(5)14(8,12)13/h1-4,8,10H,(H2,9,11)
InChIKeyYKWNGPPEJMWZAX-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.30
Rot. Bonds1

About 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide

1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide (PubChem CID 152537696) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide
PubChem CID152537696
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)C1Nc2ccccc2S1(=O)=O
InChIInChI=1S/C8H8N2O3S/c9-7(11)8-10-5-3-1-2-4-6(5)14(8,12)13/h1-4,8,10H,(H2,9,11)
InChIKeyYKWNGPPEJMWZAX-UHFFFAOYSA-N
XLogP-0.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-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

2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 70870893
(3S)-N-(2-carbamoylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93069214
(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84621691
2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide
CID 151760838
2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 140922627
1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide
CID 71144345
ethyl 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]benzoate
CID 92867827
(3S)-3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 92715091
(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
CID 100944790
(3S)-N-(3,4-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711878
2-(1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-3-yl)acetonitrile
CID 6624322
3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110225881

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide (CID 152537696) is 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide is NC(=O)C1Nc2ccccc2S1(=O)=O.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is YKWNGPPEJMWZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c9-7(11)8-10-5-3-1-2-4-6(5)14(8,12)13/h1-4,8,10H,(H2,9,11).
What are the key properties of 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 212.23 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 152537696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).