1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

C15H17N3OS — CID 105185488

IUPAC1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1nnsc1C(NC)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H17N3OS/c1-4-11-15(20-18-17-11)13(16-3)12-8-10-7-5-6-9(2)14(10)19-12/h5-8,13,16H,4H2,1-3H3
InChIKeyUASHXDGKKXVSOW-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105185488) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105185488
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1nnsc1C(NC)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H17N3OS/c1-4-11-15(20-18-17-11)13(16-3)12-8-10-7-5-6-9(2)14(10)19-12/h5-8,13,16H,4H2,1-3H3
InChIKeyUASHXDGKKXVSOW-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185509
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114730705
(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
CID 105130440
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105187003
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(2-methyl-4-pyridinyl)methanamine
CID 106755900
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045456
[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338360

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (CID 105185488) is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is CCc1nnsc1C(NC)c1cc2cccc(C)c2o1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is UASHXDGKKXVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-4-11-15(20-18-17-11)13(16-3)12-8-10-7-5-6-9(2)14(10)19-12/h5-8,13,16H,4H2,1-3H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 287.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105185488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).