6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C15H14N2OS2 — CID 63802355

IUPAC6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)c1ccc(Sc2nc3sccn3c2C=O)cc1
InChIInChI=1S/C15H14N2OS2/c1-10(2)11-3-5-12(6-4-11)20-14-13(9-18)17-7-8-19-15(17)16-14/h3-10H,1-2H3
InChIKeyHCLINOSIUXVRHE-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.48
Rot. Bonds4

About 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 63802355) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID63802355
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)c1ccc(Sc2nc3sccn3c2C=O)cc1
InChIInChI=1S/C15H14N2OS2/c1-10(2)11-3-5-12(6-4-11)20-14-13(9-18)17-7-8-19-15(17)16-14/h3-10H,1-2H3
InChIKeyHCLINOSIUXVRHE-UHFFFAOYSA-N
XLogP4.48
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.48
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-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107772122
6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802182
(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
CID 170876618
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780661
N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
CID 40517031
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
3-[[2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetyl]amino]propanoic acid
CID 39165173
[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 55238469
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
methyl 2-[1-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778323
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 63802355) is 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC(C)c1ccc(Sc2nc3sccn3c2C=O)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is HCLINOSIUXVRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-10(2)11-3-5-12(6-4-11)20-14-13(9-18)17-7-8-19-15(17)16-14/h3-10H,1-2H3.
What are the key properties of 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 302.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 63802355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).