6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C10H7N3S — CID 853547

IUPAC6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3ncsc3n2)cc1
InChIInChI=1S/C10H7N3S/c1-2-4-8(5-3-1)9-6-13-10(12-9)14-7-11-13/h1-7H
InChIKeyGFPSTSCYNCOYTN-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.46
Rot. Bonds1

About 6-phenylimidazo[2,1-b][1,3,4]thiadiazole

6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 853547) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID853547
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3ncsc3n2)cc1
InChIInChI=1S/C10H7N3S/c1-2-4-8(5-3-1)9-6-13-10(12-9)14-7-11-13/h1-7H
InChIKeyGFPSTSCYNCOYTN-UHFFFAOYSA-N
XLogP2.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 853547) is 6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2cn3ncsc3n2)cc1.
What is the InChIKey of 6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is GFPSTSCYNCOYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-2-4-8(5-3-1)9-6-13-10(12-9)14-7-11-13/h1-7H.
What are the key properties of 6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 201.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 853547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).