3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde

C13H9ClN2O2S — CID 112611429

IUPAC3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1cn2ccsc2n1
InChIInChI=1S/C13H9ClN2O2S/c14-11-3-1-2-9(7-17)12(11)18-8-10-6-16-4-5-19-13(16)15-10/h1-7H,8H2
InChIKeyKHKSMLAVCNCONM-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.44
Rot. Bonds4

About 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde

3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde (PubChem CID 112611429) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
PubChem CID112611429
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1cn2ccsc2n1
InChIInChI=1S/C13H9ClN2O2S/c14-11-3-1-2-9(7-17)12(11)18-8-10-6-16-4-5-19-13(16)15-10/h1-7H,8H2
InChIKeyKHKSMLAVCNCONM-UHFFFAOYSA-N
XLogP3.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.44
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

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde
CID 115331924
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 113288865
3,5-dichloro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)aniline
CID 115331203
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 112611324
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarbothioamide
CID 115331871
6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-1,3-benzodioxole-5-carbaldehyde
CID 115331928
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-amino-3-chlorobenzoate
CID 79726580
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
2-chloro-N'-hydroxy-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331982
2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
CID 115957858
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde?
The IUPAC name of 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde (CID 112611429) is 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde is O=Cc1cccc(Cl)c1OCc1cn2ccsc2n1.
What is the InChIKey of 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde?
The InChIKey is KHKSMLAVCNCONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-11-3-1-2-9(7-17)12(11)18-8-10-6-16-4-5-19-13(16)15-10/h1-7H,8H2.
What are the key properties of 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde?
3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde has a molecular weight of 292.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde is sourced from PubChem (CID 112611429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).