5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine

C14H11Cl2N3S — CID 65468508

IUPAC5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCc1nc2cc(Nc3c(Cl)cccc3Cl)c(N)cc2s1
InChIInChI=1S/C14H11Cl2N3S/c1-7-18-12-6-11(10(17)5-13(12)20-7)19-14-8(15)3-2-4-9(14)16/h2-6,19H,17H2,1H3
InChIKeyWAAYEIPZCLIYAZ-UHFFFAOYSA-N
MW324.24 g/mol
LogP5.24
Rot. Bonds2

About 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine

5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine (PubChem CID 65468508) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine.

Molecular Properties

Compound Name5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
PubChem CID65468508
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCc1nc2cc(Nc3c(Cl)cccc3Cl)c(N)cc2s1
InChIInChI=1S/C14H11Cl2N3S/c1-7-18-12-6-11(10(17)5-13(12)20-7)19-14-8(15)3-2-4-9(14)16/h2-6,19H,17H2,1H3
InChIKeyWAAYEIPZCLIYAZ-UHFFFAOYSA-N
XLogP5.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.24
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
The IUPAC name of 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine (CID 65468508) is 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine.
What is the SMILES notation for 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
The canonical SMILES for 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine is Cc1nc2cc(Nc3c(Cl)cccc3Cl)c(N)cc2s1.
What is the InChIKey of 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
The InChIKey is WAAYEIPZCLIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-7-18-12-6-11(10(17)5-13(12)20-7)19-14-8(15)3-2-4-9(14)16/h2-6,19H,17H2,1H3.
What are the key properties of 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine has a molecular weight of 324.24 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine is sourced from PubChem (CID 65468508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).