6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C14H12N4O2S — CID 82219220

IUPAC6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc3sc(C)nn3c2C#N)c1
InChIInChI=1S/C14H12N4O2S/c1-8-17-18-11(7-15)13(16-14(18)21-8)10-6-9(19-2)4-5-12(10)20-3/h4-6H,1-3H3
InChIKeyNCXNGOVCRYGVBH-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.66
Rot. Bonds3

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

6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219220) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219220
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc3sc(C)nn3c2C#N)c1
InChIInChI=1S/C14H12N4O2S/c1-8-17-18-11(7-15)13(16-14(18)21-8)10-6-9(19-2)4-5-12(10)20-3/h4-6H,1-3H3
InChIKeyNCXNGOVCRYGVBH-UHFFFAOYSA-N
XLogP2.66
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219222
4-methoxy-13-methyl-14-thia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),3,5,12,15-hexaene
CID 107646500
2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219230
[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961566
2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470
(E)-1-(3,4-dimethoxyphenyl)-3-[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]prop-2-en-1-one
CID 122191141
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343148

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219220) is 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is COc1ccc(OC)c(-c2nc3sc(C)nn3c2C#N)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is NCXNGOVCRYGVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-17-18-11(7-15)13(16-14(18)21-8)10-6-9(19-2)4-5-12(10)20-3/h4-6H,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 300.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).