6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde

C₁₂H₈N₂OSCAS 74630-73-2228.27 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₁₂H₈N₂OS
Molar mass: 228.27 g/mol
Exact mass: 228.0357 Da
logP: 2.88Crippen estimate
Polar surface area: 34.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

74630-73-2

SMILES

C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=O

InChIKey

RRHHDLZBYCPJAW-UHFFFAOYSA-N

InChI

InChI=1S/C12H8N2OS/c15-8-10-11(9-4-2-1-3-5-9)13-12-14(10)6-7-16-12/h1-8H

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C12H9N2OS 229.0430

[M + Na]+

[M + Na]+ Calcd for C12H8N2NaOS 251.0250

[M − H]−

[M − H]− Calcd for C12H7N2OS 227.0285

Elemental analysis

Anal. Calcd for C12H8N2OS: C, 63.14; H, 3.53; N, 12.27; S, 14.04.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 name

6-Phenylimidazo[2,1-B][1,3]thiazole-5-carbaldehyde

Work with 6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Formyl-2-phenylimidazo[1,2-a]pyridine3672-39-759 % similar 6-Chloroimidazo[2,1-b]thiazole-5-carboxaldehyde23576-84-356 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-435 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-833 % similar 2-Methyl-4,5-diphenylthiazole3755-83-731 % similar 1,3-Benzothiazole-2-carbaldehyde6639-57-231 % similar [1,1′-Biphenyl]-2-carboxaldehyde1203-68-531 % similar 2,3-Diphenylquinoxaline1684-14-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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