N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide

C15H14N4OS — CID 17391797

IUPACN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nn2cc(-c3ccccc3)nc2s1)C1CCC1
InChIInChI=1S/C15H14N4OS/c20-13(11-7-4-8-11)17-14-18-19-9-12(16-15(19)21-14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,17,18,20)
InChIKeyJYCAJMOAPOFGJL-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.20
Rot. Bonds3

About N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide

N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide (PubChem CID 17391797) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide
PubChem CID17391797
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nn2cc(-c3ccccc3)nc2s1)C1CCC1
InChIInChI=1S/C15H14N4OS/c20-13(11-7-4-8-11)17-14-18-19-9-12(16-15(19)21-14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,17,18,20)
InChIKeyJYCAJMOAPOFGJL-UHFFFAOYSA-N
XLogP3.20
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide (CID 17391797) is N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide is O=C(Nc1nn2cc(-c3ccccc3)nc2s1)C1CCC1.
What is the InChIKey of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is JYCAJMOAPOFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-13(11-7-4-8-11)17-14-18-19-9-12(16-15(19)21-14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,17,18,20).
What are the key properties of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide?
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 17391797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).