2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C11H8N4OS — CID 45028061

IUPAC2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESNc1nn2c(C=O)c(-c3ccccc3)nc2s1
InChIInChI=1S/C11H8N4OS/c12-10-14-15-8(6-16)9(13-11(15)17-10)7-4-2-1-3-5-7/h1-6H,(H2,12,14)
InChIKeyFLOQERCKEAONET-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 45028061) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID45028061
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESNc1nn2c(C=O)c(-c3ccccc3)nc2s1
InChIInChI=1S/C11H8N4OS/c12-10-14-15-8(6-16)9(13-11(15)17-10)7-4-2-1-3-5-7/h1-6H,(H2,12,14)
InChIKeyFLOQERCKEAONET-UHFFFAOYSA-N
XLogP1.85
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 45028061) is 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is Nc1nn2c(C=O)c(-c3ccccc3)nc2s1.
What is the InChIKey of 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is FLOQERCKEAONET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-10-14-15-8(6-16)9(13-11(15)17-10)7-4-2-1-3-5-7/h1-6H,(H2,12,14).
What are the key properties of 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 244.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 45028061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).