N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine

C18H20N2OS — CID 46986574

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESCCc1ccc(CN(Cc2ccsc2)Cc2ccco2)nc1
InChIInChI=1S/C18H20N2OS/c1-2-15-5-6-17(19-10-15)12-20(11-16-7-9-22-14-16)13-18-4-3-8-21-18/h3-10,14H,2,11-13H2,1H3
InChIKeyLFURDGHAGALWBY-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.50
Rot. Bonds7

About N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine

N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine (PubChem CID 46986574) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine
PubChem CID46986574
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESCCc1ccc(CN(Cc2ccsc2)Cc2ccco2)nc1
InChIInChI=1S/C18H20N2OS/c1-2-15-5-6-17(19-10-15)12-20(11-16-7-9-22-14-16)13-18-4-3-8-21-18/h3-10,14H,2,11-13H2,1H3
InChIKeyLFURDGHAGALWBY-UHFFFAOYSA-N
XLogP4.50
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
6-(4-Methyl-2-thienyl)-1-[[5-(trifluoromethyl)-2-
CID 124175987
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
Furan-2-ylmethyl-[(1-phenethyl-1H-tetrazol-5-yl)-pyridin-2-yl-methyl]-thiophen-2-ylmethyl-amine
CID 650607
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310757
3-(2-Furylmethyl)-2-(4-pyridinyl)-1,3-thiazolidin-4-one
CID 2999932
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210865
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine (CID 46986574) is N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine is CCc1ccc(CN(Cc2ccsc2)Cc2ccco2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
The InChIKey is LFURDGHAGALWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-2-15-5-6-17(19-10-15)12-20(11-16-7-9-22-14-16)13-18-4-3-8-21-18/h3-10,14H,2,11-13H2,1H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine has a molecular weight of 312.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 46986574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).