N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine

C13H12N2OS — CID 54893853

IUPACN-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESc1coc(CCNc2nccc3sccc23)c1
InChIInChI=1S/C13H12N2OS/c1-2-10(16-8-1)3-6-14-13-11-5-9-17-12(11)4-7-15-13/h1-2,4-5,7-9H,3,6H2,(H,14,15)
InChIKeyBPEIJRFSNUSDPI-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine

N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 54893853) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine
PubChem CID54893853
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESc1coc(CCNc2nccc3sccc23)c1
InChIInChI=1S/C13H12N2OS/c1-2-10(16-8-1)3-6-14-13-11-5-9-17-12(11)4-7-15-13/h1-2,4-5,7-9H,3,6H2,(H,14,15)
InChIKeyBPEIJRFSNUSDPI-UHFFFAOYSA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine (CID 54893853) is N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine is c1coc(CCNc2nccc3sccc23)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is BPEIJRFSNUSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-10(16-8-1)3-6-14-13-11-5-9-17-12(11)4-7-15-13/h1-2,4-5,7-9H,3,6H2,(H,14,15).
What are the key properties of N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine?
N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 244.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 54893853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).