(E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine

C19H20N2OS — CID 46995818

IUPAC(E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
SMILESCc1ccsc1CN(C/C=C/c1ccco1)Cc1ccccn1
InChIInChI=1S/C19H20N2OS/c1-16-9-13-23-19(16)15-21(14-17-6-2-3-10-20-17)11-4-7-18-8-5-12-22-18/h2-10,12-13H,11,14-15H2,1H3/b7-4+
InChIKeyZEXOFKZDSQHYEI-QPJJXVBHSA-N
MW324.45 g/mol
LogP4.76
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine

(E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine (PubChem CID 46995818) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
PubChem CID46995818
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name(E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
SMILESCc1ccsc1CN(C/C=C/c1ccco1)Cc1ccccn1
InChIInChI=1S/C19H20N2OS/c1-16-9-13-23-19(16)15-21(14-17-6-2-3-10-20-17)11-4-7-18-8-5-12-22-18/h2-10,12-13H,11,14-15H2,1H3/b7-4+
InChIKeyZEXOFKZDSQHYEI-QPJJXVBHSA-N
XLogP4.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine (CID 46995818) is (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine is Cc1ccsc1CN(C/C=C/c1ccco1)Cc1ccccn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is ZEXOFKZDSQHYEI-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-16-9-13-23-19(16)15-21(14-17-6-2-3-10-20-17)11-4-7-18-8-5-12-22-18/h2-10,12-13H,11,14-15H2,1H3/b7-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
(E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 324.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 46995818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).