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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Related Compounds

1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
1-Ethyl-3-[6-(3-methoxy-4-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 71655668
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
N-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 44564790
N-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-2-methoxy-9H-purin-6-amine
CID 44564817
N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 59251848
N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 89034287
N-(6-(5-ethoxypyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 89034365
1-(2-(1H-imidazol-5-yl)ethyl)-3-(6-(5-methoxypyridin-3-yl)benzo[d]thiazol-2-yl)urea
CID 89034380
N-[6-(6-ethyl-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 118721835

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).