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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Related Compounds

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
2-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]-1,3-benzothiazole
CID 134132637
2-[2-(1H-imidazol-5-yl)ethoxy-phenylmethyl]-1,3-benzothiazole
CID 134136759
2-[3-(2-methyl-1H-imidazol-5-yl)propoxy-phenylmethyl]-1,3-benzothiazole
CID 134135585
6-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1,3-benzothiazole
CID 172469179
1-[2-[5-(1-Fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[6-[5-(methoxymethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]urea
CID 89034827
2-fluoro-N-[3-(5-methoxy-1,3-benzothiazol-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163250973
[6-Amino-3-(5-methoxy-1,3-benzothiazol-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251248
cis-(1S,2S)-2-fluoro-N-[3-(5-methoxy-1,3-benzothiazol-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251328
5-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168217412
4-(1,3-benzothiazol-6-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56901502

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).