2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C13H10N4S — CID 82219003

IUPAC2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCc1nn2c(C#N)c(-c3ccccc3)nc2s1
InChIInChI=1S/C13H10N4S/c1-2-11-16-17-10(8-14)12(15-13(17)18-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChIKeyITPSUOYSIHVWJY-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.89
Rot. Bonds2

About 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219003) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219003
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCc1nn2c(C#N)c(-c3ccccc3)nc2s1
InChIInChI=1S/C13H10N4S/c1-2-11-16-17-10(8-14)12(15-13(17)18-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChIKeyITPSUOYSIHVWJY-UHFFFAOYSA-N
XLogP2.89
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219003) is 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is CCc1nn2c(C#N)c(-c3ccccc3)nc2s1.
What is the InChIKey of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is ITPSUOYSIHVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-11-16-17-10(8-14)12(15-13(17)18-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 254.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).