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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).