2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole

C20H14N4OS — CID 122447557

IUPAC2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)sc3c2)c1
InChIInChI=1S/C20H14N4OS/c1-25-14-8-13(10-21-11-14)12-6-7-17-18(9-12)26-20(24-17)19-22-15-4-2-3-5-16(15)23-19/h2-11H,1H3,(H,22,23)
InChIKeyJLQUNGHFXLTYCE-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.91
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole

2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole (PubChem CID 122447557) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole
PubChem CID122447557
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)sc3c2)c1
InChIInChI=1S/C20H14N4OS/c1-25-14-8-13(10-21-11-14)12-6-7-17-18(9-12)26-20(24-17)19-22-15-4-2-3-5-16(15)23-19/h2-11H,1H3,(H,22,23)
InChIKeyJLQUNGHFXLTYCE-UHFFFAOYSA-N
XLogP4.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole (CID 122447557) is 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole is COc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)sc3c2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole?
The InChIKey is JLQUNGHFXLTYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-25-14-8-13(10-21-11-14)12-6-7-17-18(9-12)26-20(24-17)19-22-15-4-2-3-5-16(15)23-19/h2-11H,1H3,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole?
2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole has a molecular weight of 358.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 122447557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).