5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine

C10H6FN3S2 — CID 81104661

IUPAC5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cc3ccc(F)cc3s2)s1
InChIInChI=1S/C10H6FN3S2/c11-6-2-1-5-3-8(15-7(5)4-6)9-13-14-10(12)16-9/h1-4H,(H2,12,14)
InChIKeyHQENBFMFKAUHCM-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.14
Rot. Bonds1

About 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine

5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 81104661) has the molecular formula C10H6FN3S2 and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID81104661
Molecular FormulaC10H6FN3S2
Molecular Weight251.31 g/mol
Exact Mass251.00
IUPAC Name5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cc3ccc(F)cc3s2)s1
InChIInChI=1S/C10H6FN3S2/c11-6-2-1-5-3-8(15-7(5)4-6)9-13-14-10(12)16-9/h1-4H,(H2,12,14)
InChIKeyHQENBFMFKAUHCM-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine (CID 81104661) is 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cc3ccc(F)cc3s2)s1.
What is the InChIKey of 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HQENBFMFKAUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3S2/c11-6-2-1-5-3-8(15-7(5)4-6)9-13-14-10(12)16-9/h1-4H,(H2,12,14).
What are the key properties of 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 251.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 81104661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).