3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine

C19H15N3OS — CID 134434702

IUPAC3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine
SMILESCOc1ccc2sc(-c3cnccc3Nc3ccccc3)nc2c1
InChIInChI=1S/C19H15N3OS/c1-23-14-7-8-18-17(11-14)22-19(24-18)15-12-20-10-9-16(15)21-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21)
InChIKeyQLTUIHLHPCTALZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.11
Rot. Bonds4

About 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine

3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine (PubChem CID 134434702) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine.

Molecular Properties

Compound Name3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine
PubChem CID134434702
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine
SMILESCOc1ccc2sc(-c3cnccc3Nc3ccccc3)nc2c1
InChIInChI=1S/C19H15N3OS/c1-23-14-7-8-18-17(11-14)22-19(24-18)15-12-20-10-9-16(15)21-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21)
InChIKeyQLTUIHLHPCTALZ-UHFFFAOYSA-N
XLogP5.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine?
The IUPAC name of 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine (CID 134434702) is 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine.
What is the SMILES notation for 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine?
The canonical SMILES for 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine is COc1ccc2sc(-c3cnccc3Nc3ccccc3)nc2c1.
What is the InChIKey of 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine?
The InChIKey is QLTUIHLHPCTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-23-14-7-8-18-17(11-14)22-19(24-18)15-12-20-10-9-16(15)21-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21).
What are the key properties of 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine?
3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,3-benzothiazol-2-yl)-N-phenylpyridin-4-amine is sourced from PubChem (CID 134434702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).