N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine

C14H14FN3OS — CID 105185786

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H14FN3OS/c1-2-5-16-14(11-8-20-18-17-11)13-7-9-6-10(15)3-4-12(9)19-13/h3-4,6-8,14,16H,2,5H2,1H3
InChIKeyKEVVQWZXLHTZNE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.51
Rot. Bonds5

About N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine

N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine (PubChem CID 105185786) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
PubChem CID105185786
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H14FN3OS/c1-2-5-16-14(11-8-20-18-17-11)13-7-9-6-10(15)3-4-12(9)19-13/h3-4,6-8,14,16H,2,5H2,1H3
InChIKeyKEVVQWZXLHTZNE-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729086
N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105087955
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045996
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
N-[thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105142581
N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105141634
N-[(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114728748
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine (CID 105185786) is N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine is CCCNC(c1csnn1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The InChIKey is KEVVQWZXLHTZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-2-5-16-14(11-8-20-18-17-11)13-7-9-6-10(15)3-4-12(9)19-13/h3-4,6-8,14,16H,2,5H2,1H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine has a molecular weight of 291.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105185786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).