2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline

C13H14N2S — CID 110226064

IUPAC2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline
SMILESNc1ccccc1C1NCCc2sccc21
InChIInChI=1S/C13H14N2S/c14-11-4-2-1-3-9(11)13-10-6-8-16-12(10)5-7-15-13/h1-4,6,8,13,15H,5,7,14H2
InChIKeyUXCIGRIUPYHDIQ-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.57
Rot. Bonds1

About 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline

2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline (PubChem CID 110226064) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline
PubChem CID110226064
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline
SMILESNc1ccccc1C1NCCc2sccc21
InChIInChI=1S/C13H14N2S/c14-11-4-2-1-3-9(11)13-10-6-8-16-12(10)5-7-15-13/h1-4,6,8,13,15H,5,7,14H2
InChIKeyUXCIGRIUPYHDIQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline?
The IUPAC name of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline (CID 110226064) is 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline.
What is the SMILES notation for 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline?
The canonical SMILES for 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline is Nc1ccccc1C1NCCc2sccc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline?
The InChIKey is UXCIGRIUPYHDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-11-4-2-1-3-9(11)13-10-6-8-16-12(10)5-7-15-13/h1-4,6,8,13,15H,5,7,14H2.
What are the key properties of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline?
2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline has a molecular weight of 230.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)aniline is sourced from PubChem (CID 110226064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).