2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde

C10H5ClFNOS2 — CID 122476906

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Sc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H5ClFNOS2/c11-8-3-7(1-2-9(8)12)16-10-13-6(4-14)5-15-10/h1-5H
InChIKeyUNFMRIWLPFKHAT-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde

2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde (PubChem CID 122476906) has the molecular formula C10H5ClFNOS2 and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde
PubChem CID122476906
Molecular FormulaC10H5ClFNOS2
Molecular Weight273.74 g/mol
Exact Mass272.95
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Sc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H5ClFNOS2/c11-8-3-7(1-2-9(8)12)16-10-13-6(4-14)5-15-10/h1-5H
InChIKeyUNFMRIWLPFKHAT-UHFFFAOYSA-N
XLogP3.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.90
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 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde (CID 122476906) is 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde is O=Cc1csc(Sc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is UNFMRIWLPFKHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNOS2/c11-8-3-7(1-2-9(8)12)16-10-13-6(4-14)5-15-10/h1-5H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde?
2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 273.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 122476906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).