4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine

C9H8Cl2N2S — CID 2726860

IUPAC4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C9H8Cl2N2S/c1-2-12-9-13-8-6(11)3-5(10)4-7(8)14-9/h3-4H,2H2,1H3,(H,12,13)
InChIKeyZXUHCNUWBRJWCO-UHFFFAOYSA-N
MW247.15 g/mol
LogP4.03
Rot. Bonds2

About 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine

4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine (PubChem CID 2726860) has the molecular formula C9H8Cl2N2S and a molecular weight of 247.15 g/mol. Its IUPAC name is 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine
PubChem CID2726860
Molecular FormulaC9H8Cl2N2S
Molecular Weight247.15 g/mol
Exact Mass245.98
IUPAC Name4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C9H8Cl2N2S/c1-2-12-9-13-8-6(11)3-5(10)4-7(8)14-9/h3-4H,2H2,1H3,(H,12,13)
InChIKeyZXUHCNUWBRJWCO-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine (CID 2726860) is 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine is CCNc1nc2c(Cl)cc(Cl)cc2s1.
What is the InChIKey of 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is ZXUHCNUWBRJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2S/c1-2-12-9-13-8-6(11)3-5(10)4-7(8)14-9/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine?
4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 247.15 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2726860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).