1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine

C21H13NS — CID 176651602

IUPAC1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2cc(-c3nccc4c3sc3ccccc34)ccc2c1
InChIInChI=1S/C21H13NS/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-13H
InChIKeyNWTSDDVQBQTYGY-UHFFFAOYSA-N
MW311.41 g/mol
LogP6.27
Rot. Bonds1

About 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine

1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 176651602) has the molecular formula C21H13NS and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
PubChem CID176651602
Molecular FormulaC21H13NS
Molecular Weight311.41 g/mol
Exact Mass311.08
IUPAC Name1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2cc(-c3nccc4c3sc3ccccc34)ccc2c1
InChIInChI=1S/C21H13NS/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-13H
InChIKeyNWTSDDVQBQTYGY-UHFFFAOYSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 170007448
1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-c]pyridine;1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-[1]benzothiolo[2,3-c]pyridine;1-(9,10-diphenylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 158257639
lithium;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;quinolin-1-ium-8-olate
CID 159942085
1-isoquinolin-3-yl-[1]benzothiolo[2,3-c]pyridine
CID 168745873
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 58536121
4-[6-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)naphthalen-2-yl]benzo[f]isoquinoline
CID 171057150
1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101157
1-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzothiolo[2,3-c]pyridine
CID 168746133
2-methyl-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 130266122
4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
CID 174273152
5,13-diphenyl-11-thia-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 166815616
trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
CID 166018657

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine (CID 176651602) is 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine is c1ccc2cc(-c3nccc4c3sc3ccccc34)ccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is NWTSDDVQBQTYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NS/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-13H.
What are the key properties of 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine?
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 311.41 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 176651602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).