5-chloro-N-ethyl-1,3-benzothiazol-2-amine

C9H9ClN2S — CID 699152

IUPAC5-chloro-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H9ClN2S/c1-2-11-9-12-7-5-6(10)3-4-8(7)13-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyRWENKNLXLIFVIP-UHFFFAOYSA-N
MW212.71 g/mol
LogP3.38
Rot. Bonds2

About 5-chloro-N-ethyl-1,3-benzothiazol-2-amine

5-chloro-N-ethyl-1,3-benzothiazol-2-amine (PubChem CID 699152) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 5-chloro-N-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-1,3-benzothiazol-2-amine
PubChem CID699152
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name5-chloro-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H9ClN2S/c1-2-11-9-12-7-5-6(10)3-4-8(7)13-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyRWENKNLXLIFVIP-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-ethyl-1,3-benzothiazol-2-amine (CID 699152) is 5-chloro-N-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-1,3-benzothiazol-2-amine is CCNc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is RWENKNLXLIFVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-2-11-9-12-7-5-6(10)3-4-8(7)13-9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 5-chloro-N-ethyl-1,3-benzothiazol-2-amine?
5-chloro-N-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 212.71 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 699152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).