2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one

C10H7N3OS — CID 56970149

IUPAC2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one
SMILESO=C1CN2N=C(c3ccccc3)SC2=N1
InChIInChI=1S/C10H7N3OS/c14-8-6-13-10(11-8)15-9(12-13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySGPBUDHSAXTYMP-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.29
Rot. Bonds1

About 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one

2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one (PubChem CID 56970149) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one.

Molecular Properties

Compound Name2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one
PubChem CID56970149
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one
SMILESO=C1CN2N=C(c3ccccc3)SC2=N1
InChIInChI=1S/C10H7N3OS/c14-8-6-13-10(11-8)15-9(12-13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySGPBUDHSAXTYMP-UHFFFAOYSA-N
XLogP1.29
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one?
The IUPAC name of 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one (CID 56970149) is 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one.
What is the SMILES notation for 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one?
The canonical SMILES for 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one is O=C1CN2N=C(c3ccccc3)SC2=N1.
What is the InChIKey of 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one?
The InChIKey is SGPBUDHSAXTYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c14-8-6-13-10(11-8)15-9(12-13)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one?
2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one has a molecular weight of 217.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5H-imidazo[2,1-b][1,3,4]thiadiazol-6-one is sourced from PubChem (CID 56970149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).