3-phenyl-[1]benzothiolo[2,3-c]pyridine

C17H11NS — CID 66688052

IUPAC3-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(cn2)sc2ccccc23)cc1
InChIInChI=1S/C17H11NS/c1-2-6-12(7-3-1)15-10-14-13-8-4-5-9-16(13)19-17(14)11-18-15/h1-11H
InChIKeyDLPRVLMWCAPZLN-UHFFFAOYSA-N
MW261.35 g/mol
LogP5.12
Rot. Bonds1

About 3-phenyl-[1]benzothiolo[2,3-c]pyridine

3-phenyl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 66688052) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-phenyl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-phenyl-[1]benzothiolo[2,3-c]pyridine
PubChem CID66688052
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name3-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(cn2)sc2ccccc23)cc1
InChIInChI=1S/C17H11NS/c1-2-6-12(7-3-1)15-10-14-13-8-4-5-9-16(13)19-17(14)11-18-15/h1-11H
InChIKeyDLPRVLMWCAPZLN-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 3-phenyl-[1]benzothiolo[2,3-c]pyridine (CID 66688052) is 3-phenyl-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 3-phenyl-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 3-phenyl-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2cc3c(cn2)sc2ccccc23)cc1.
What is the InChIKey of 3-phenyl-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is DLPRVLMWCAPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-6-12(7-3-1)15-10-14-13-8-4-5-9-16(13)19-17(14)11-18-15/h1-11H.
What are the key properties of 3-phenyl-[1]benzothiolo[2,3-c]pyridine?
3-phenyl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 261.35 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 66688052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).