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

C10H3ClF3NO2S — CID 177166318

IUPAC4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2cc(F)c(F)c(F)c2)nc1Cl
InChIInChI=1S/C10H3ClF3NO2S/c11-9-7(3-16)18-10(15-9)17-4-1-5(12)8(14)6(13)2-4/h1-3H
InChIKeyNMHMEHLTAFLRPA-UHFFFAOYSA-N
MW293.65 g/mol
LogP3.82
Rot. Bonds3

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

4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 177166318) has the molecular formula C10H3ClF3NO2S and a molecular weight of 293.65 g/mol. Its IUPAC name is 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID177166318
Molecular FormulaC10H3ClF3NO2S
Molecular Weight293.65 g/mol
Exact Mass292.95
IUPAC Name4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2cc(F)c(F)c(F)c2)nc1Cl
InChIInChI=1S/C10H3ClF3NO2S/c11-9-7(3-16)18-10(15-9)17-4-1-5(12)8(14)6(13)2-4/h1-3H
InChIKeyNMHMEHLTAFLRPA-UHFFFAOYSA-N
XLogP3.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.65
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde (CID 177166318) is 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Oc2cc(F)c(F)c(F)c2)nc1Cl.
What is the InChIKey of 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is NMHMEHLTAFLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF3NO2S/c11-9-7(3-16)18-10(15-9)17-4-1-5(12)8(14)6(13)2-4/h1-3H.
What are the key properties of 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 293.65 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4,5-trifluorophenoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 177166318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).