3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine

C12H10N4S — CID 155778547

IUPAC3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine
SMILESNc1ccc(-c2cccc3scnc23)c(N)n1
InChIInChI=1S/C12H10N4S/c13-10-5-4-8(12(14)16-10)7-2-1-3-9-11(7)15-6-17-9/h1-6H,(H4,13,14,16)
InChIKeyCWRGBGOGTYMLPH-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.52
Rot. Bonds1

About 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine

3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine (PubChem CID 155778547) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine
PubChem CID155778547
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine
SMILESNc1ccc(-c2cccc3scnc23)c(N)n1
InChIInChI=1S/C12H10N4S/c13-10-5-4-8(12(14)16-10)7-2-1-3-9-11(7)15-6-17-9/h1-6H,(H4,13,14,16)
InChIKeyCWRGBGOGTYMLPH-UHFFFAOYSA-N
XLogP2.52
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine?
The IUPAC name of 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine (CID 155778547) is 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine?
The canonical SMILES for 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine is Nc1ccc(-c2cccc3scnc23)c(N)n1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine?
The InChIKey is CWRGBGOGTYMLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-10-5-4-8(12(14)16-10)7-2-1-3-9-11(7)15-6-17-9/h1-6H,(H4,13,14,16).
What are the key properties of 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine?
3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine is sourced from PubChem (CID 155778547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).