4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde

C10H5ClFNO2S — CID 73012732

IUPAC4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C10H5ClFNO2S/c11-9-8(5-14)16-10(13-9)15-7-3-1-6(12)2-4-7/h1-5H
InChIKeyISCXOIGOSMHMSK-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 73012732) has the molecular formula C10H5ClFNO2S and a molecular weight of 257.67 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID73012732
Molecular FormulaC10H5ClFNO2S
Molecular Weight257.67 g/mol
Exact Mass256.97
IUPAC Name4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2ccc(F)cc2)nc1Cl
InChIInChI=1S/C10H5ClFNO2S/c11-9-8(5-14)16-10(13-9)15-7-3-1-6(12)2-4-7/h1-5H
InChIKeyISCXOIGOSMHMSK-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde (CID 73012732) is 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Oc2ccc(F)cc2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ISCXOIGOSMHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S/c11-9-8(5-14)16-10(13-9)15-7-3-1-6(12)2-4-7/h1-5H.
What are the key properties of 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 257.67 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 73012732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).