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

C14H12N2O3S — CID 115331924

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCc1cn2ccsc2n1
InChIInChI=1S/C14H12N2O3S/c1-18-12-4-2-3-10(8-17)13(12)19-9-11-7-16-5-6-20-14(16)15-11/h2-8H,9H2,1H3
InChIKeyZSBBPBDHRVSLTO-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.80
Rot. Bonds5

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

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde (PubChem CID 115331924) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde
PubChem CID115331924
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCc1cn2ccsc2n1
InChIInChI=1S/C14H12N2O3S/c1-18-12-4-2-3-10(8-17)13(12)19-9-11-7-16-5-6-20-14(16)15-11/h2-8H,9H2,1H3
InChIKeyZSBBPBDHRVSLTO-UHFFFAOYSA-N
XLogP2.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 112611429
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 113288865
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-1,3-benzodioxole-5-carbaldehyde
CID 115331928
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
CID 78942904
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332162
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-ol
CID 115332159

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde (CID 115331924) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCc1cn2ccsc2n1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde?
The InChIKey is ZSBBPBDHRVSLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-12-4-2-3-10(8-17)13(12)19-9-11-7-16-5-6-20-14(16)15-11/h2-8H,9H2,1H3.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde has a molecular weight of 288.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 115331924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).