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

C14H15N3OS — CID 105184776

IUPACN-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C14H15N3OS/c1-2-7-15-14(11-9-19-17-16-11)13-8-10-5-3-4-6-12(10)18-13/h3-6,8-9,14-15H,2,7H2,1H3
InChIKeyALBAMLKKXKFEHT-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.37
Rot. Bonds5

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

N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine (PubChem CID 105184776) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
PubChem CID105184776
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C14H15N3OS/c1-2-7-15-14(11-9-19-17-16-11)13-8-10-5-3-4-6-12(10)18-13/h3-6,8-9,14-15H,2,7H2,1H3
InChIKeyALBAMLKKXKFEHT-UHFFFAOYSA-N
XLogP3.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine (CID 105184776) is N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine is CCCNC(c1csnn1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine?
The InChIKey is ALBAMLKKXKFEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-7-15-14(11-9-19-17-16-11)13-8-10-5-3-4-6-12(10)18-13/h3-6,8-9,14-15H,2,7H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine has a molecular weight of 273.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(thiadiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105184776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).