[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol

C16H17NO3S — CID 46992645

IUPAC[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN(Cc2ccsc2)Cc2ccco2)o1
InChIInChI=1S/C16H17NO3S/c18-11-16-4-3-15(20-16)10-17(8-13-5-7-21-12-13)9-14-2-1-6-19-14/h1-7,12,18H,8-11H2
InChIKeyZNPCCQSSRGKZTQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.63
Rot. Bonds7

About [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol

[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 46992645) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol
PubChem CID46992645
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN(Cc2ccsc2)Cc2ccco2)o1
InChIInChI=1S/C16H17NO3S/c18-11-16-4-3-15(20-16)10-17(8-13-5-7-21-12-13)9-14-2-1-6-19-14/h1-7,12,18H,8-11H2
InChIKeyZNPCCQSSRGKZTQ-UHFFFAOYSA-N
XLogP3.63
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

furan-2-ylmethanol;[5-(hydroxymethyl)furan-2-yl]methanol
CID 174941274
[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 93162504
2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
CID 47000015
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
CID 61053856
N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 72717863
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 24534529
3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 46014026
2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
CID 123545327

Frequently Asked Questions

What is the IUPAC name of [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol (CID 46992645) is [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol is OCc1ccc(CN(Cc2ccsc2)Cc2ccco2)o1.
What is the InChIKey of [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is ZNPCCQSSRGKZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-11-16-4-3-15(20-16)10-17(8-13-5-7-21-12-13)9-14-2-1-6-19-14/h1-7,12,18H,8-11H2.
What are the key properties of [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol?
[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 303.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46992645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).