4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde

C10H6ClNO2S — CID 28818917

IUPAC4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2ccccc2)nc1Cl
InChIInChI=1S/C10H6ClNO2S/c11-9-8(6-13)15-10(12-9)14-7-4-2-1-3-5-7/h1-6H
InChIKeyMWDMJNZOVXEWSU-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.40
Rot. Bonds3

About 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde

4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde (PubChem CID 28818917) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde
PubChem CID28818917
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2ccccc2)nc1Cl
InChIInChI=1S/C10H6ClNO2S/c11-9-8(6-13)15-10(12-9)14-7-4-2-1-3-5-7/h1-6H
InChIKeyMWDMJNZOVXEWSU-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.40
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-phenoxy-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde (CID 28818917) is 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Oc2ccccc2)nc1Cl.
What is the InChIKey of 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde?
The InChIKey is MWDMJNZOVXEWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-9-8(6-13)15-10(12-9)14-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde?
4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde has a molecular weight of 239.68 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenoxy-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 28818917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).