N,N-dichloro-1,3-benzothiazol-7-amine

C7H4Cl2N2S — CID 19971386

IUPACN,N-dichloro-1,3-benzothiazol-7-amine
SMILESClN(Cl)c1cccc2ncsc12
InChIInChI=1S/C7H4Cl2N2S/c8-11(9)6-3-1-2-5-7(6)12-4-10-5/h1-4H
InChIKeyCRVIXBXHZBMSTF-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.41
Rot. Bonds1

About N,N-dichloro-1,3-benzothiazol-7-amine

N,N-dichloro-1,3-benzothiazol-7-amine (PubChem CID 19971386) has the molecular formula C7H4Cl2N2S and a molecular weight of 219.10 g/mol. Its IUPAC name is N,N-dichloro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,N-dichloro-1,3-benzothiazol-7-amine
PubChem CID19971386
Molecular FormulaC7H4Cl2N2S
Molecular Weight219.10 g/mol
Exact Mass217.95
IUPAC NameN,N-dichloro-1,3-benzothiazol-7-amine
SMILESClN(Cl)c1cccc2ncsc12
InChIInChI=1S/C7H4Cl2N2S/c8-11(9)6-3-1-2-5-7(6)12-4-10-5/h1-4H
InChIKeyCRVIXBXHZBMSTF-UHFFFAOYSA-N
XLogP3.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-1,3-benzothiazol-7-amine?
The IUPAC name of N,N-dichloro-1,3-benzothiazol-7-amine (CID 19971386) is N,N-dichloro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,N-dichloro-1,3-benzothiazol-7-amine?
The canonical SMILES for N,N-dichloro-1,3-benzothiazol-7-amine is ClN(Cl)c1cccc2ncsc12.
What is the InChIKey of N,N-dichloro-1,3-benzothiazol-7-amine?
The InChIKey is CRVIXBXHZBMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S/c8-11(9)6-3-1-2-5-7(6)12-4-10-5/h1-4H.
What are the key properties of N,N-dichloro-1,3-benzothiazol-7-amine?
N,N-dichloro-1,3-benzothiazol-7-amine has a molecular weight of 219.10 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 19971386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).