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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Related Compounds

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-sulfonamide
CID 71858382
5-(3-Chlorobenzo[b]thiophen-2-yl)-1,3,4-thiadiazol-2-ylamine
CID 129733898
5-(6-Fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
CID 81104661
5-(2-Phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine
CID 91576983
5-(4,5,6,7-Tetrahydro-1-benzothien-2-yl)-1,3,4-thiadiazol-2-amine
CID 13591931
5-[Phenyl(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-amine
CID 17603780
2-Amino-5-(2-benzothienyl)-1,3,4-thiadiazole
CID 17603802
5-Benzo[B]thiophen-3-ylmethyl-2H-tetrazole
CID 17750039
5-(1-Benzothiophen-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 61034970
2-Amino-5-(3-benzothienyl)-1,3,4-thiadiazole
CID 61612836
[5-(1-Benzothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725534
2-[5-(1-Benzothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65727898

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).