6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C14H10F2N4S — CID 82219513

IUPAC6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCC(C)c1nn2c(C#N)c(-c3cc(F)ccc3F)nc2s1
InChIInChI=1S/C14H10F2N4S/c1-7(2)13-19-20-11(6-17)12(18-14(20)21-13)9-5-8(15)3-4-10(9)16/h3-5,7H,1-2H3
InChIKeyOLMLVYHZQRZNBW-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.73
Rot. Bonds2

About 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219513) has the molecular formula C14H10F2N4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219513
Molecular FormulaC14H10F2N4S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCC(C)c1nn2c(C#N)c(-c3cc(F)ccc3F)nc2s1
InChIInChI=1S/C14H10F2N4S/c1-7(2)13-19-20-11(6-17)12(18-14(20)21-13)9-5-8(15)3-4-10(9)16/h3-5,7H,1-2H3
InChIKeyOLMLVYHZQRZNBW-UHFFFAOYSA-N
XLogP3.73
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886180
6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219518
4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
CID 116867209
6-(4-fluoro-3-methylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219457
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219460
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867625
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
3-(2,5-difluorophenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61264329
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
CID 20946322
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360286

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219513) is 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is CC(C)c1nn2c(C#N)c(-c3cc(F)ccc3F)nc2s1.
What is the InChIKey of 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is OLMLVYHZQRZNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c1-7(2)13-19-20-11(6-17)12(18-14(20)21-13)9-5-8(15)3-4-10(9)16/h3-5,7H,1-2H3.
What are the key properties of 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 304.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).