6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole

C16H13N3OS — CID 150353289

IUPAC6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole
SMILESCOC(c1ccc2ncsc2c1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H13N3OS/c1-20-15(10-4-5-13-14(7-10)21-9-19-13)12-8-18-16-11(12)3-2-6-17-16/h2-9,15H,1H3,(H,17,18)
InChIKeyGUEPJYPJGFDCBT-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.91
Rot. Bonds3

About 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole

6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole (PubChem CID 150353289) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole
PubChem CID150353289
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole
SMILESCOC(c1ccc2ncsc2c1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H13N3OS/c1-20-15(10-4-5-13-14(7-10)21-9-19-13)12-8-18-16-11(12)3-2-6-17-16/h2-9,15H,1H3,(H,17,18)
InChIKeyGUEPJYPJGFDCBT-UHFFFAOYSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole?
The IUPAC name of 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole (CID 150353289) is 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole?
The canonical SMILES for 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole is COC(c1ccc2ncsc2c1)c1c[nH]c2ncccc12.
What is the InChIKey of 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole?
The InChIKey is GUEPJYPJGFDCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-20-15(10-4-5-13-14(7-10)21-9-19-13)12-8-18-16-11(12)3-2-6-17-16/h2-9,15H,1H3,(H,17,18).
What are the key properties of 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole?
6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole has a molecular weight of 295.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 150353289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).