1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine

C13H13N3OS — CID 43722037

IUPAC1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C13H13N3OS/c1-9(14-7-11-8-18-16-15-11)13-6-10-4-2-3-5-12(10)17-13/h2-6,8-9,14H,7H2,1H3
InChIKeyGYWTYHMUHFNYFP-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.14
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine

1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43722037) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43722037
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C13H13N3OS/c1-9(14-7-11-8-18-16-15-11)13-6-10-4-2-3-5-12(10)17-13/h2-6,8-9,14H,7H2,1H3
InChIKeyGYWTYHMUHFNYFP-UHFFFAOYSA-N
XLogP3.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43722037) is 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine is CC(NCc1csnn1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is GYWTYHMUHFNYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9(14-7-11-8-18-16-15-11)13-6-10-4-2-3-5-12(10)17-13/h2-6,8-9,14H,7H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 259.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43722037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).