5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

C19H16N4OS — CID 24803724

IUPAC5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCOc1ccc2nc(-c3ccc(NCc4cccnc4)nc3)sc2c1
InChIInChI=1S/C19H16N4OS/c1-24-15-5-6-16-17(9-15)25-19(23-16)14-4-7-18(22-12-14)21-11-13-3-2-8-20-10-13/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyFBFXBJWASLZVFL-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds5

About 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 24803724) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID24803724
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCOc1ccc2nc(-c3ccc(NCc4cccnc4)nc3)sc2c1
InChIInChI=1S/C19H16N4OS/c1-24-15-5-6-16-17(9-15)25-19(23-16)14-4-7-18(22-12-14)21-11-13-3-2-8-20-10-13/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyFBFXBJWASLZVFL-UHFFFAOYSA-N
XLogP4.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 24803724) is 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is COc1ccc2nc(-c3ccc(NCc4cccnc4)nc3)sc2c1.
What is the InChIKey of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is FBFXBJWASLZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-15-5-6-16-17(9-15)25-19(23-16)14-4-7-18(22-12-14)21-11-13-3-2-8-20-10-13/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 24803724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).