7-chloro-1,2-benzothiazol-3-amine

C7H5ClN2S — CID 13162407

IUPAC7-chloro-1,2-benzothiazol-3-amine
SMILESNc1nsc2c(Cl)cccc12
InChIInChI=1S/C7H5ClN2S/c8-5-3-1-2-4-6(5)11-10-7(4)9/h1-3H,(H2,9,10)
InChIKeyZLTURSZPDLBZRD-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.53
Rot. Bonds

About 7-chloro-1,2-benzothiazol-3-amine

7-chloro-1,2-benzothiazol-3-amine (PubChem CID 13162407) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 7-chloro-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name7-chloro-1,2-benzothiazol-3-amine
PubChem CID13162407
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name7-chloro-1,2-benzothiazol-3-amine
SMILESNc1nsc2c(Cl)cccc12
InChIInChI=1S/C7H5ClN2S/c8-5-3-1-2-4-6(5)11-10-7(4)9/h1-3H,(H2,9,10)
InChIKeyZLTURSZPDLBZRD-UHFFFAOYSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2-benzothiazol-3-amine?
The IUPAC name of 7-chloro-1,2-benzothiazol-3-amine (CID 13162407) is 7-chloro-1,2-benzothiazol-3-amine.
What is the SMILES notation for 7-chloro-1,2-benzothiazol-3-amine?
The canonical SMILES for 7-chloro-1,2-benzothiazol-3-amine is Nc1nsc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-1,2-benzothiazol-3-amine?
The InChIKey is ZLTURSZPDLBZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-5-3-1-2-4-6(5)11-10-7(4)9/h1-3H,(H2,9,10).
What are the key properties of 7-chloro-1,2-benzothiazol-3-amine?
7-chloro-1,2-benzothiazol-3-amine has a molecular weight of 184.65 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2-benzothiazol-3-amine is sourced from PubChem (CID 13162407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).