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

C8H6Cl2N2S — CID 2726859

IUPAC4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C8H6Cl2N2S/c1-11-8-12-7-5(10)2-4(9)3-6(7)13-8/h2-3H,1H3,(H,11,12)
InChIKeyWPZZDJNVSYBUAE-UHFFFAOYSA-N
MW233.12 g/mol
LogP3.64
Rot. Bonds1

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

4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 2726859) has the molecular formula C8H6Cl2N2S and a molecular weight of 233.12 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine
PubChem CID2726859
Molecular FormulaC8H6Cl2N2S
Molecular Weight233.12 g/mol
Exact Mass231.96
IUPAC Name4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C8H6Cl2N2S/c1-11-8-12-7-5(10)2-4(9)3-6(7)13-8/h2-3H,1H3,(H,11,12)
InChIKeyWPZZDJNVSYBUAE-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 53.64
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-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine (CID 2726859) is 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2c(Cl)cc(Cl)cc2s1.
What is the InChIKey of 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is WPZZDJNVSYBUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2S/c1-11-8-12-7-5(10)2-4(9)3-6(7)13-8/h2-3H,1H3,(H,11,12).
What are the key properties of 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine?
4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 233.12 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2726859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).