6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C18H15N3OS — CID 39197859

IUPAC6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCC(C)c1nn2c(C=O)c(-c3ccc4ccccc4c3)nc2s1
InChIInChI=1S/C18H15N3OS/c1-11(2)17-20-21-15(10-22)16(19-18(21)23-17)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3
InChIKeyIEUIYVFVLYMTCG-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.55
Rot. Bonds3

About 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39197859) has the molecular formula C18H15N3OS and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39197859
Molecular FormulaC18H15N3OS
Molecular Weight321.40 g/mol
Exact Mass321.09
IUPAC Name6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCC(C)c1nn2c(C=O)c(-c3ccc4ccccc4c3)nc2s1
InChIInChI=1S/C18H15N3OS/c1-11(2)17-20-21-15(10-22)16(19-18(21)23-17)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3
InChIKeyIEUIYVFVLYMTCG-UHFFFAOYSA-N
XLogP4.55
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethoxyphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197871
3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39080225
6-(4-fluorophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197889
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
2-benzyl-6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198142
2-(2-methylpropyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198060
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
6-[4-(2-methylprop-2-enoxy)phenyl]-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197912
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198272
6-(3,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197939
[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219553

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39197859) is 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is CC(C)c1nn2c(C=O)c(-c3ccc4ccccc4c3)nc2s1.
What is the InChIKey of 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is IEUIYVFVLYMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11(2)17-20-21-15(10-22)16(19-18(21)23-17)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3.
What are the key properties of 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 321.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39197859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).