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

C9H10N2S — CID 89221507

IUPACN-ethyl-1,2-benzothiazol-5-amine
SMILESCCNc1ccc2sncc2c1
InChIInChI=1S/C9H10N2S/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h3-6,10H,2H2,1H3
InChIKeyXLZXFVYRLMCEDU-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.73
Rot. Bonds2

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

N-ethyl-1,2-benzothiazol-5-amine (PubChem CID 89221507) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-ethyl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,2-benzothiazol-5-amine
PubChem CID89221507
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC NameN-ethyl-1,2-benzothiazol-5-amine
SMILESCCNc1ccc2sncc2c1
InChIInChI=1S/C9H10N2S/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h3-6,10H,2H2,1H3
InChIKeyXLZXFVYRLMCEDU-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-benzothiazol-5-amine?
The IUPAC name of N-ethyl-1,2-benzothiazol-5-amine (CID 89221507) is N-ethyl-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-ethyl-1,2-benzothiazol-5-amine?
The canonical SMILES for N-ethyl-1,2-benzothiazol-5-amine is CCNc1ccc2sncc2c1.
What is the InChIKey of N-ethyl-1,2-benzothiazol-5-amine?
The InChIKey is XLZXFVYRLMCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h3-6,10H,2H2,1H3.
What are the key properties of N-ethyl-1,2-benzothiazol-5-amine?
N-ethyl-1,2-benzothiazol-5-amine has a molecular weight of 178.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 89221507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).