4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline

C19H16N2S — CID 122382956

IUPAC4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc3c(cn2)sc2ccccc23)cc1
InChIInChI=1S/C19H16N2S/c1-21(2)14-9-7-13(8-10-14)17-11-16-15-5-3-4-6-18(15)22-19(16)12-20-17/h3-12H,1-2H3
InChIKeyCSTOXLNNYFLDMQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.18
Rot. Bonds2

About 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline

4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline (PubChem CID 122382956) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline
PubChem CID122382956
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc3c(cn2)sc2ccccc23)cc1
InChIInChI=1S/C19H16N2S/c1-21(2)14-9-7-13(8-10-14)17-11-16-15-5-3-4-6-18(15)22-19(16)12-20-17/h3-12H,1-2H3
InChIKeyCSTOXLNNYFLDMQ-UHFFFAOYSA-N
XLogP5.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine
CID 166861757
N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline
CID 140881748
trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-7-yl)silane
CID 166018634
3-[3-(9-ethenyl-10-methylphenanthren-2-yl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 155029343
4-([1]benzothiolo[2,3-b]pyridin-2-yl)-N,N-bis(4-isoquinolin-3-ylphenyl)aniline
CID 168765745
(2-dibenzothiophen-2-yl-5-propan-2-yl-4-pyridinyl)-trimethylsilane
CID 140720181
N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-3-amine
CID 166861794
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
1-[4-(dimethylamino)phenyl]thioxanthen-9-one
CID 150522003
3-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 159908537
N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine
CID 168737976
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline (CID 122382956) is 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2cc3c(cn2)sc2ccccc23)cc1.
What is the InChIKey of 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline?
The InChIKey is CSTOXLNNYFLDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-21(2)14-9-7-13(8-10-14)17-11-16-15-5-3-4-6-18(15)22-19(16)12-20-17/h3-12H,1-2H3.
What are the key properties of 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline?
4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline has a molecular weight of 304.42 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 122382956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).