2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride

C7H9ClN2O2S — CID 133054056

IUPAC2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)CS(=O)(=O)N2
InChIInChI=1S/C7H8N2O2S.ClH/c8-6-1-2-7-5(3-6)4-12(10,11)9-7;/h1-3,9H,4,8H2;1H
InChIKeyVEFICJDHFPPYJL-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.95
Rot. Bonds

About 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride

2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride (PubChem CID 133054056) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride
PubChem CID133054056
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)CS(=O)(=O)N2
InChIInChI=1S/C7H8N2O2S.ClH/c8-6-1-2-7-5(3-6)4-12(10,11)9-7;/h1-3,9H,4,8H2;1H
InChIKeyVEFICJDHFPPYJL-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride?
The IUPAC name of 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride (CID 133054056) is 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride.
What is the SMILES notation for 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride?
The canonical SMILES for 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride is Cl.Nc1ccc2c(c1)CS(=O)(=O)N2.
What is the InChIKey of 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride?
The InChIKey is VEFICJDHFPPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S.ClH/c8-6-1-2-7-5(3-6)4-12(10,11)9-7;/h1-3,9H,4,8H2;1H.
What are the key properties of 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride?
2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride has a molecular weight of 220.68 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-amine;hydrochloride is sourced from PubChem (CID 133054056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).