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

C14H14FN3OS — CID 105186448

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H14FN3OS/c1-2-6-16-13(11-8-20-18-17-11)12-7-9-4-3-5-10(15)14(9)19-12/h3-5,7-8,13,16H,2,6H2,1H3
InChIKeyLHEJSLNHUUWNCC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.51
Rot. Bonds5

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

N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine (PubChem CID 105186448) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
PubChem CID105186448
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H14FN3OS/c1-2-6-16-13(11-8-20-18-17-11)12-7-9-4-3-5-10(15)14(9)19-12/h3-5,7-8,13,16H,2,6H2,1H3
InChIKeyLHEJSLNHUUWNCC-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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Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine (CID 105186448) is N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine is CCCNC(c1csnn1)c1cc2cccc(F)c2o1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The InChIKey is LHEJSLNHUUWNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-2-6-16-13(11-8-20-18-17-11)12-7-9-4-3-5-10(15)14(9)19-12/h3-5,7-8,13,16H,2,6H2,1H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
N-[(7-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-[(7-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105186448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).