2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde

C15H10ClNO2S — CID 104631097

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H10ClNO2S/c16-11-4-3-6-13(10(11)8-18)19-9-15-17-12-5-1-2-7-14(12)20-15/h1-8H,9H2
InChIKeyBZQYEXGSYFOHNT-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.34
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde

2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde (PubChem CID 104631097) has the molecular formula C15H10ClNO2S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
PubChem CID104631097
Molecular FormulaC15H10ClNO2S
Molecular Weight303.77 g/mol
Exact Mass303.01
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H10ClNO2S/c16-11-4-3-6-13(10(11)8-18)19-9-15-17-12-5-1-2-7-14(12)20-15/h1-8H,9H2
InChIKeyBZQYEXGSYFOHNT-UHFFFAOYSA-N
XLogP4.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 104631328
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
CID 2714599
2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole
CID 8537265
4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dichloroaniline
CID 104630885
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
1,3-benzothiazol-2-ylmethyl 2-(2,6-dichlorophenyl)acetate
CID 2391041
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate
CID 139798301
4-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 80725561
(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
CID 104630959

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde (CID 104631097) is 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde is O=Cc1c(Cl)cccc1OCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde?
The InChIKey is BZQYEXGSYFOHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2S/c16-11-4-3-6-13(10(11)8-18)19-9-15-17-12-5-1-2-7-14(12)20-15/h1-8H,9H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde?
2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde has a molecular weight of 303.77 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde is sourced from PubChem (CID 104631097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).