3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

C19H18N2O2S — CID 131916205

IUPAC3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN(Cc2ccccn2)Cc2ccco2)c1
InChIInChI=1S/C19H18N2O2S/c22-9-3-5-16-11-19(24-15-16)14-21(13-18-7-4-10-23-18)12-17-6-1-2-8-20-17/h1-2,4,6-8,10-11,15,22H,9,12-14H2
InChIKeyHCVRALQOFWJIES-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.28
Rot. Bonds6

About 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 131916205) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID131916205
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN(Cc2ccccn2)Cc2ccco2)c1
InChIInChI=1S/C19H18N2O2S/c22-9-3-5-16-11-19(24-15-16)14-21(13-18-7-4-10-23-18)12-17-6-1-2-8-20-17/h1-2,4,6-8,10-11,15,22H,9,12-14H2
InChIKeyHCVRALQOFWJIES-UHFFFAOYSA-N
XLogP3.28
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol with MolForge

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Related Compounds

N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 71426063
2-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91833759
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 106924451
2-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-pyrazin-2-ylacetamide
CID 50975744
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine
CID 23911127
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 131916205) is 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1csc(CN(Cc2ccccn2)Cc2ccco2)c1.
What is the InChIKey of 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is HCVRALQOFWJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-9-3-5-16-11-19(24-15-16)14-21(13-18-7-4-10-23-18)12-17-6-1-2-8-20-17/h1-2,4,6-8,10-11,15,22H,9,12-14H2.
What are the key properties of 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 338.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 131916205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).