5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde

C16H12N2O2S — CID 169336159

IUPAC5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C3=CSC4=NCCN34)cc2)o1
InChIInChI=1S/C16H12N2O2S/c19-9-13-5-6-15(20-13)12-3-1-11(2-4-12)14-10-21-16-17-7-8-18(14)16/h1-6,9-10H,7-8H2
InChIKeyJEMFUZGBJAEYKH-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.48
Rot. Bonds3

About 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde

5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169336159) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde
PubChem CID169336159
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C3=CSC4=NCCN34)cc2)o1
InChIInChI=1S/C16H12N2O2S/c19-9-13-5-6-15(20-13)12-3-1-11(2-4-12)14-10-21-16-17-7-8-18(14)16/h1-6,9-10H,7-8H2
InChIKeyJEMFUZGBJAEYKH-UHFFFAOYSA-N
XLogP3.48
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.48
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

5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde
CID 169331743
3-[3-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 98288892
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 2800014
3-(2,4-dichlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 52997837
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde (CID 169336159) is 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(C3=CSC4=NCCN34)cc2)o1.
What is the InChIKey of 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is JEMFUZGBJAEYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-9-13-5-6-15(20-13)12-3-1-11(2-4-12)14-10-21-16-17-7-8-18(14)16/h1-6,9-10H,7-8H2.
What are the key properties of 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde?
5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 296.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169336159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).