5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde

C12H10ClNO3S — CID 113438752

IUPAC5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OCc1nccs1
InChIInChI=1S/C12H10ClNO3S/c1-16-10-5-9(13)4-8(6-15)12(10)17-7-11-14-2-3-18-11/h2-6H,7H2,1H3
InChIKeyAPVMHTBLKQNQBE-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.20
Rot. Bonds5

About 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde

5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde (PubChem CID 113438752) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
PubChem CID113438752
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OCc1nccs1
InChIInChI=1S/C12H10ClNO3S/c1-16-10-5-9(13)4-8(6-15)12(10)17-7-11-14-2-3-18-11/h2-6H,7H2,1H3
InChIKeyAPVMHTBLKQNQBE-UHFFFAOYSA-N
XLogP3.20
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.20
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-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104664687
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 104665448
1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
CID 104665382
5-chloro-3-methoxy-2-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 104665577
3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 112611324
3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 71670258
5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
CID 104665438
4-(4-chloro-2-formyl-6-methoxyphenoxy)-N,N-dimethylbutanamide
CID 104665290
3-(4-chloro-2-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 113438784
2-methoxy-5-(1,3-thiazol-2-ylmethyl)benzaldehyde
CID 79823849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The IUPAC name of 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde (CID 113438752) is 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde is COc1cc(Cl)cc(C=O)c1OCc1nccs1.
What is the InChIKey of 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The InChIKey is APVMHTBLKQNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-16-10-5-9(13)4-8(6-15)12(10)17-7-11-14-2-3-18-11/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde has a molecular weight of 283.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 113438752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).