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

C6H3ClF3NO2S — CID 80688457

IUPAC4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(OCC(F)(F)F)nc1Cl
InChIInChI=1S/C6H3ClF3NO2S/c7-4-3(1-12)14-5(11-4)13-2-6(8,9)10/h1H,2H2
InChIKeyUSKHUKXCUBTLSZ-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.55
Rot. Bonds3

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

4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 80688457) has the molecular formula C6H3ClF3NO2S and a molecular weight of 245.61 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID80688457
Molecular FormulaC6H3ClF3NO2S
Molecular Weight245.61 g/mol
Exact Mass244.95
IUPAC Name4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(OCC(F)(F)F)nc1Cl
InChIInChI=1S/C6H3ClF3NO2S/c7-4-3(1-12)14-5(11-4)13-2-6(8,9)10/h1H,2H2
InChIKeyUSKHUKXCUBTLSZ-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dichloro-1,3-thiazole-5-carboxaldehyde
CID 1488672
4-Chloro-2-methoxy-1,3-thiazole-5-carbaldehyde
CID 33777885
2-Bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CID 15141968
4-Chloro-2-methyl-1,3-thiazole-5-carbaldehyde
CID 21052312
4-Chloro-2-iodo-1,3-thiazole-5-carbaldehyde
CID 137935417
4-Chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 15665808
4-Chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole-5-carbaldehyde
CID 149827702
Methyl 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
CID 60824649
4-Chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687180
4-Chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687721
Methyl 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole-5-carboxylate
CID 82005070
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 82006061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde (CID 80688457) is 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(OCC(F)(F)F)nc1Cl.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is USKHUKXCUBTLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2S/c7-4-3(1-12)14-5(11-4)13-2-6(8,9)10/h1H,2H2.
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 245.61 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).