2-thieno[3,2-b]pyridin-2-ylaniline

C13H10N2S — CID 66552620

IUPAC2-thieno[3,2-b]pyridin-2-ylaniline
SMILESNc1ccccc1-c1cc2ncccc2s1
InChIInChI=1S/C13H10N2S/c14-10-5-2-1-4-9(10)13-8-11-12(16-13)6-3-7-15-11/h1-8H,14H2
InChIKeyZPLQGQRDAXNBTM-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.55
Rot. Bonds1

About 2-thieno[3,2-b]pyridin-2-ylaniline

2-thieno[3,2-b]pyridin-2-ylaniline (PubChem CID 66552620) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-thieno[3,2-b]pyridin-2-ylaniline.

Molecular Properties

Compound Name2-thieno[3,2-b]pyridin-2-ylaniline
PubChem CID66552620
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name2-thieno[3,2-b]pyridin-2-ylaniline
SMILESNc1ccccc1-c1cc2ncccc2s1
InChIInChI=1S/C13H10N2S/c14-10-5-2-1-4-9(10)13-8-11-12(16-13)6-3-7-15-11/h1-8H,14H2
InChIKeyZPLQGQRDAXNBTM-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-thieno[3,2-b]pyridin-2-ylthieno[3,2-b]pyridine
CID 153406098
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
2-bromothieno[3,2-b]pyridine
CID 13220432
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
2-(5-methylthiophen-2-yl)aniline
CID 13413493
thieno[3,2-b]pyridine-2-carbonitrile
CID 13220438
N-methylthieno[3,2-b]pyridin-2-amine
CID 139437807
2-methylsulfinylthieno[3,2-b]pyridine
CID 153242145
2-propan-2-ylsulfanylthieno[3,2-b]pyridine
CID 163499277
3-(2-aminophenyl)pyridine-2-carbaldehyde
CID 87624659
2-(3-pyridin-2-yl-2-pyridinyl)pyridin-3-amine
CID 67060209
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]pyridin-2-ylaniline?
The IUPAC name of 2-thieno[3,2-b]pyridin-2-ylaniline (CID 66552620) is 2-thieno[3,2-b]pyridin-2-ylaniline.
What is the SMILES notation for 2-thieno[3,2-b]pyridin-2-ylaniline?
The canonical SMILES for 2-thieno[3,2-b]pyridin-2-ylaniline is Nc1ccccc1-c1cc2ncccc2s1.
What is the InChIKey of 2-thieno[3,2-b]pyridin-2-ylaniline?
The InChIKey is ZPLQGQRDAXNBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c14-10-5-2-1-4-9(10)13-8-11-12(16-13)6-3-7-15-11/h1-8H,14H2.
What are the key properties of 2-thieno[3,2-b]pyridin-2-ylaniline?
2-thieno[3,2-b]pyridin-2-ylaniline has a molecular weight of 226.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]pyridin-2-ylaniline is sourced from PubChem (CID 66552620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).