1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine

C23H27N3O2S — CID 144791956

IUPAC1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESCc1ccc(CN(C)Cc2ccco2)s1.c1ccc(CNCc2ccco2)nc1
InChIInChI=1S/C12H15NOS.C11H12N2O/c1-10-5-6-12(15-10)9-13(2)8-11-4-3-7-14-11;1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h3-7H,8-9H2,1-2H3;1-7,12H,8-9H2
InChIKeySOMALIWCHRGKGT-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.25
Rot. Bonds8

About 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine

1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine (PubChem CID 144791956) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
PubChem CID144791956
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESCc1ccc(CN(C)Cc2ccco2)s1.c1ccc(CNCc2ccco2)nc1
InChIInChI=1S/C12H15NOS.C11H12N2O/c1-10-5-6-12(15-10)9-13(2)8-11-4-3-7-14-11;1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h3-7H,8-9H2,1-2H3;1-7,12H,8-9H2
InChIKeySOMALIWCHRGKGT-UHFFFAOYSA-N
XLogP5.25
TPSA54.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-pyridin-3-yl-carbamoyl]-methyl}-amide
CID 649544
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
fur-2-oyl-Gly-DL-N(pyrid-3-yl)Gly(thien-2-yl)-NHcPent
CID 3211413
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
Thiophene-2-carboxylic acid ({[(1,1-dimethyl-propylcarbamoyl)-furan-2-yl-methyl]-pyridin-3-yl-carbamoyl}-methyl)-amide
CID 3215310
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
{[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}(propan-2-yl)[(pyridin-2-yl)methyl]amine
CID 45913503
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3216722

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine (CID 144791956) is 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine is Cc1ccc(CN(C)Cc2ccco2)s1.c1ccc(CNCc2ccco2)nc1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The InChIKey is SOMALIWCHRGKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS.C11H12N2O/c1-10-5-6-12(15-10)9-13(2)8-11-4-3-7-14-11;1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h3-7H,8-9H2,1-2H3;1-7,12H,8-9H2.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine has a molecular weight of 409.56 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 144791956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).