[5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol

C18H20N2O2S — CID 46982172

IUPAC[5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESCc1ccc(CN(Cc2ccncc2)Cc2ccc(CO)o2)s1
InChIInChI=1S/C18H20N2O2S/c1-14-2-5-18(23-14)12-20(10-15-6-8-19-9-7-15)11-16-3-4-17(13-21)22-16/h2-9,21H,10-13H2,1H3
InChIKeyPZUYVUYIOOSNJO-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.74
Rot. Bonds7

About [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol

[5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 46982172) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol
PubChem CID46982172
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name[5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESCc1ccc(CN(Cc2ccncc2)Cc2ccc(CO)o2)s1
InChIInChI=1S/C18H20N2O2S/c1-14-2-5-18(23-14)12-20(10-15-6-8-19-9-7-15)11-16-3-4-17(13-21)22-16/h2-9,21H,10-13H2,1H3
InChIKeyPZUYVUYIOOSNJO-UHFFFAOYSA-N
XLogP3.74
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol (CID 46982172) is [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol is Cc1ccc(CN(Cc2ccncc2)Cc2ccc(CO)o2)s1.
What is the InChIKey of [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is PZUYVUYIOOSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-2-5-18(23-14)12-20(10-15-6-8-19-9-7-15)11-16-3-4-17(13-21)22-16/h2-9,21H,10-13H2,1H3.
What are the key properties of [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol?
[5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 328.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(5-methylthiophen-2-yl)methyl-(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46982172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).