(5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide

C7H2Cl2N3S- — CID 57220476

IUPAC(5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide
SMILES[N-]=Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C7H2Cl2N3S/c8-3-1-5-6(2-4(3)9)13-7(11-5)12-10/h1-2H/q-1
InChIKeyTZKSBNBZYWNEEG-UHFFFAOYSA-N
MW231.09 g/mol
LogP4.26
Rot. Bonds1

About (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide

(5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide (PubChem CID 57220476) has the molecular formula C7H2Cl2N3S- and a molecular weight of 231.09 g/mol. Its IUPAC name is (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide.

Molecular Properties

Compound Name(5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide
PubChem CID57220476
Molecular FormulaC7H2Cl2N3S-
Molecular Weight231.09 g/mol
Exact Mass229.94
IUPAC Name(5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide
SMILES[N-]=Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C7H2Cl2N3S/c8-3-1-5-6(2-4(3)9)13-7(11-5)12-10/h1-2H/q-1
InChIKeyTZKSBNBZYWNEEG-UHFFFAOYSA-N
XLogP4.26
TPSA47.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide?
The IUPAC name of (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide (CID 57220476) is (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide.
What is the SMILES notation for (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide?
The canonical SMILES for (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide is [N-]=Nc1nc2cc(Cl)c(Cl)cc2s1.
What is the InChIKey of (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide?
The InChIKey is TZKSBNBZYWNEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N3S/c8-3-1-5-6(2-4(3)9)13-7(11-5)12-10/h1-2H/q-1.
What are the key properties of (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide?
(5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide has a molecular weight of 231.09 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide is sourced from PubChem (CID 57220476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).