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

C16H10N4S2 — CID 94961253

IUPAC2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1ccc(-c2nn3c(C#N)c(-c4cccs4)nc3s2)cc1
InChIInChI=1S/C16H10N4S2/c1-10-4-6-11(7-5-10)15-19-20-12(9-17)14(18-16(20)22-15)13-3-2-8-21-13/h2-8H,1H3
InChIKeyAQRVEICMXSCTSV-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.37
Rot. Bonds2

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

2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 94961253) has the molecular formula C16H10N4S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID94961253
Molecular FormulaC16H10N4S2
Molecular Weight322.42 g/mol
Exact Mass322.03
IUPAC Name2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1ccc(-c2nn3c(C#N)c(-c4cccs4)nc3s2)cc1
InChIInChI=1S/C16H10N4S2/c1-10-4-6-11(7-5-10)15-19-20-12(9-17)14(18-16(20)22-15)13-3-2-8-21-13/h2-8H,1H3
InChIKeyAQRVEICMXSCTSV-UHFFFAOYSA-N
XLogP4.37
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219377
2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219272
6-methyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219259
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124
6-(3,4-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961223
(5Z)-5-[[6-(4-methylphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 72793646
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-propan-2-yl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219370
6-(furan-2-yl)-2-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219401
6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219442
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 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 94961253) is 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is Cc1ccc(-c2nn3c(C#N)c(-c4cccs4)nc3s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is AQRVEICMXSCTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S2/c1-10-4-6-11(7-5-10)15-19-20-12(9-17)14(18-16(20)22-15)13-3-2-8-21-13/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 322.42 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 94961253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).