N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine

C13H12FN3OS — CID 105186503

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H12FN3OS/c1-2-15-12(10-7-19-17-16-10)11-6-8-4-3-5-9(14)13(8)18-11/h3-7,12,15H,2H2,1H3
InChIKeyPDIFANVQDLJILO-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.12
Rot. Bonds4

About N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine

N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine (PubChem CID 105186503) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
PubChem CID105186503
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H12FN3OS/c1-2-15-12(10-7-19-17-16-10)11-6-8-4-3-5-9(14)13(8)18-11/h3-7,12,15H,2H2,1H3
InChIKeyPDIFANVQDLJILO-UHFFFAOYSA-N
XLogP3.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine (CID 105186503) is N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine is CCNC(c1csnn1)c1cc2cccc(F)c2o1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine?
The InChIKey is PDIFANVQDLJILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-2-15-12(10-7-19-17-16-10)11-6-8-4-3-5-9(14)13(8)18-11/h3-7,12,15H,2H2,1H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine?
N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine has a molecular weight of 277.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105186503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).