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

C14H10F2N4S — CID 82219518

IUPAC6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCCc1nn2c(C#N)c(-c3ccc(F)c(F)c3)nc2s1
InChIInChI=1S/C14H10F2N4S/c1-2-3-12-19-20-11(7-17)13(18-14(20)21-12)8-4-5-9(15)10(16)6-8/h4-6H,2-3H2,1H3
InChIKeyQXDQMGCWILLBCZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.56
Rot. Bonds3

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

6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219518) has the molecular formula C14H10F2N4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219518
Molecular FormulaC14H10F2N4S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCCc1nn2c(C#N)c(-c3ccc(F)c(F)c3)nc2s1
InChIInChI=1S/C14H10F2N4S/c1-2-3-12-19-20-11(7-17)13(18-14(20)21-12)8-4-5-9(15)10(16)6-8/h4-6H,2-3H2,1H3
InChIKeyQXDQMGCWILLBCZ-UHFFFAOYSA-N
XLogP3.56
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.56
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
6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219118
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219003
6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219042
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219460
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-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219939
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219364
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219518) is 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is CCCc1nn2c(C#N)c(-c3ccc(F)c(F)c3)nc2s1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is QXDQMGCWILLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c1-2-3-12-19-20-11(7-17)13(18-14(20)21-12)8-4-5-9(15)10(16)6-8/h4-6H,2-3H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 304.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).