2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C15H11FN4S — CID 82219460

IUPAC2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1cc(-c2nc3sc(C4CC4)nn3c2C#N)ccc1F
InChIInChI=1S/C15H11FN4S/c1-8-6-10(4-5-11(8)16)13-12(7-17)20-15(18-13)21-14(19-20)9-2-3-9/h4-6,9H,2-3H2,1H3
InChIKeyFNLQZWODOYCGDV-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.65
Rot. Bonds2

About 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219460) has the molecular formula C15H11FN4S and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219460
Molecular FormulaC15H11FN4S
Molecular Weight298.35 g/mol
Exact Mass298.07
IUPAC Name2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1cc(-c2nc3sc(C4CC4)nn3c2C#N)ccc1F
InChIInChI=1S/C15H11FN4S/c1-8-6-10(4-5-11(8)16)13-12(7-17)20-15(18-13)21-14(19-20)9-2-3-9/h4-6,9H,2-3H2,1H3
InChIKeyFNLQZWODOYCGDV-UHFFFAOYSA-N
XLogP3.65
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluoro-3-methylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219457
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219083
2-cyclopropyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219120
2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961329
2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219437
6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219518
6-(3,4-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961223
6-(3,4-dimethylphenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219031
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961415
2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219003

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219460) is 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is Cc1cc(-c2nc3sc(C4CC4)nn3c2C#N)ccc1F.
What is the InChIKey of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is FNLQZWODOYCGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4S/c1-8-6-10(4-5-11(8)16)13-12(7-17)20-15(18-13)21-14(19-20)9-2-3-9/h4-6,9H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).