N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine

C15H17N3OS — CID 105185529

IUPACN-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(C)c2o1)c1snnc1C
InChIInChI=1S/C15H17N3OS/c1-4-16-13(15-10(3)17-18-20-15)12-8-11-7-5-6-9(2)14(11)19-12/h5-8,13,16H,4H2,1-3H3
InChIKeyXZYZUQMZWHFNKK-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.60
Rot. Bonds4

About N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine

N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105185529) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105185529
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(C)c2o1)c1snnc1C
InChIInChI=1S/C15H17N3OS/c1-4-16-13(15-10(3)17-18-20-15)12-8-11-7-5-6-9(2)14(11)19-12/h5-8,13,16H,4H2,1-3H3
InChIKeyXZYZUQMZWHFNKK-UHFFFAOYSA-N
XLogP3.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
CID 105141334
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[(3-bromo-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114730903
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185509
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 105185529) is N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1cc2cccc(C)c2o1)c1snnc1C.
What is the InChIKey of N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is XZYZUQMZWHFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-4-16-13(15-10(3)17-18-20-15)12-8-11-7-5-6-9(2)14(11)19-12/h5-8,13,16H,4H2,1-3H3.
What are the key properties of N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 287.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105185529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).