5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C11H9N3S2 — CID 68765660

IUPAC5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2csc3ccccc23)s1
InChIInChI=1S/C11H9N3S2/c12-11-14-13-10(16-11)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H2,12,14)
InChIKeyAQRYAVNJKJAULH-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.93
Rot. Bonds2

About 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine

5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 68765660) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID68765660
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2csc3ccccc23)s1
InChIInChI=1S/C11H9N3S2/c12-11-14-13-10(16-11)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H2,12,14)
InChIKeyAQRYAVNJKJAULH-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 68765660) is 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(Cc2csc3ccccc23)s1.
What is the InChIKey of 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AQRYAVNJKJAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c12-11-14-13-10(16-11)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H2,12,14).
What are the key properties of 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 247.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 68765660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).