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

C11H8ClNO2S — CID 112611324

IUPAC3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1nccs1
InChIInChI=1S/C11H8ClNO2S/c12-9-3-1-2-8(6-14)11(9)15-7-10-13-4-5-16-10/h1-6H,7H2
InChIKeyMIKQRWYNTXCZME-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.19
Rot. Bonds4

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

3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde (PubChem CID 112611324) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
PubChem CID112611324
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1nccs1
InChIInChI=1S/C11H8ClNO2S/c12-9-3-1-2-8(6-14)11(9)15-7-10-13-4-5-16-10/h1-6H,7H2
InChIKeyMIKQRWYNTXCZME-UHFFFAOYSA-N
XLogP3.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.19
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

3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256
3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 112611429
5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 113438752
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954891
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610339
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
2-(2-chloro-6-formylphenoxy)acetamide
CID 112611424

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde (CID 112611324) is 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde is O=Cc1cccc(Cl)c1OCc1nccs1.
What is the InChIKey of 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The InChIKey is MIKQRWYNTXCZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c12-9-3-1-2-8(6-14)11(9)15-7-10-13-4-5-16-10/h1-6H,7H2.
What are the key properties of 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde has a molecular weight of 253.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 112611324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).