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

C13H11ClN4S — CID 156811688

IUPAC6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCN(c1cncc(Cl)c1)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H11ClN4S/c1-18(10-4-8(14)6-16-7-10)9-2-3-11-12(5-9)19-13(15)17-11/h2-7H,1H3,(H2,15,17)
InChIKeyXJWHTLNSEUYEMU-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.69
Rot. Bonds2

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

6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine (PubChem CID 156811688) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine
PubChem CID156811688
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCN(c1cncc(Cl)c1)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H11ClN4S/c1-18(10-4-8(14)6-16-7-10)9-2-3-11-12(5-9)19-13(15)17-11/h2-7H,1H3,(H2,15,17)
InChIKeyXJWHTLNSEUYEMU-UHFFFAOYSA-N
XLogP3.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine (CID 156811688) is 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine is CN(c1cncc(Cl)c1)c1ccc2nc(N)sc2c1.
What is the InChIKey of 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is XJWHTLNSEUYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-18(10-4-8(14)6-16-7-10)9-2-3-11-12(5-9)19-13(15)17-11/h2-7H,1H3,(H2,15,17).
What are the key properties of 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine?
6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 290.78 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 156811688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).