1-benzofuran-2-yl(thiadiazol-4-yl)methanamine

C11H9N3OS — CID 105184762

IUPAC1-benzofuran-2-yl(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C11H9N3OS/c12-11(8-6-16-14-13-8)10-5-7-3-1-2-4-9(7)15-10/h1-6,11H,12H2
InChIKeyFAJUCSNKQNSFOX-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.33
Rot. Bonds2

About 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine

1-benzofuran-2-yl(thiadiazol-4-yl)methanamine (PubChem CID 105184762) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl(thiadiazol-4-yl)methanamine
PubChem CID105184762
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name1-benzofuran-2-yl(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C11H9N3OS/c12-11(8-6-16-14-13-8)10-5-7-3-1-2-4-9(7)15-10/h1-6,11H,12H2
InChIKeyFAJUCSNKQNSFOX-UHFFFAOYSA-N
XLogP2.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl(thiadiazol-4-yl)methanol
CID 105128865
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219353
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783218
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
CID 63944229

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine (CID 105184762) is 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine is NC(c1csnn1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine?
The InChIKey is FAJUCSNKQNSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-11(8-6-16-14-13-8)10-5-7-3-1-2-4-9(7)15-10/h1-6,11H,12H2.
What are the key properties of 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine?
1-benzofuran-2-yl(thiadiazol-4-yl)methanamine has a molecular weight of 231.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105184762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).