5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine

C10H7N3S2 — CID 81146884

IUPAC5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc3ccsc23)s1
InChIInChI=1S/C10H7N3S2/c11-10-13-12-9(15-10)7-3-1-2-6-4-5-14-8(6)7/h1-5H,(H2,11,13)
InChIKeyDBGYKGPTSCGBFG-UHFFFAOYSA-N
MW233.32 g/mol
LogP3.00
Rot. Bonds1

About 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine

5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 81146884) has the molecular formula C10H7N3S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine
PubChem CID81146884
Molecular FormulaC10H7N3S2
Molecular Weight233.32 g/mol
Exact Mass233.01
IUPAC Name5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc3ccsc23)s1
InChIInChI=1S/C10H7N3S2/c11-10-13-12-9(15-10)7-3-1-2-6-4-5-14-8(6)7/h1-5H,(H2,11,13)
InChIKeyDBGYKGPTSCGBFG-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine (CID 81146884) is 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccc3ccsc23)s1.
What is the InChIKey of 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DBGYKGPTSCGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S2/c11-10-13-12-9(15-10)7-3-1-2-6-4-5-14-8(6)7/h1-5H,(H2,11,13).
What are the key properties of 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine?
5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 233.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 81146884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).