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

C17H18N4OS — CID 82219118

IUPAC6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCCOc1ccc(-c2nc3sc(CCC)nn3c2C#N)cc1
InChIInChI=1S/C17H18N4OS/c1-3-5-15-20-21-14(11-18)16(19-17(21)23-15)12-6-8-13(9-7-12)22-10-4-2/h6-9H,3-5,10H2,1-2H3
InChIKeyZBXYLYSWLBSYNC-UHFFFAOYSA-N
MW326.43 g/mol
LogP4.07
Rot. Bonds6

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

6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219118) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219118
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCCOc1ccc(-c2nc3sc(CCC)nn3c2C#N)cc1
InChIInChI=1S/C17H18N4OS/c1-3-5-15-20-21-14(11-18)16(19-17(21)23-15)12-6-8-13(9-7-12)22-10-4-2/h6-9H,3-5,10H2,1-2H3
InChIKeyZBXYLYSWLBSYNC-UHFFFAOYSA-N
XLogP4.07
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219120
6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219518
6-(4-fluoro-3-methylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219457
2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219003
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219042
6-(4-ethoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198036
2-methyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197835
2-[(4-methylphenoxy)methyl]-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961314
2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219364
2-[(4-ethylphenoxy)methyl]-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219342
6-(4-butan-2-ylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219497

Frequently Asked Questions

What is the IUPAC name of 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219118) is 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is CCCOc1ccc(-c2nc3sc(CCC)nn3c2C#N)cc1.
What is the InChIKey of 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is ZBXYLYSWLBSYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-5-15-20-21-14(11-18)16(19-17(21)23-15)12-6-8-13(9-7-12)22-10-4-2/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 326.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).