2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde

C10H11F2NOS — CID 123941630

IUPAC2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCC(F)(F)CC2)s1
InChIInChI=1S/C10H11F2NOS/c11-10(12)3-1-7(2-4-10)9-13-5-8(6-14)15-9/h5-7H,1-4H2
InChIKeyYHOIDEJLUJURBG-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.25
Rot. Bonds2

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

2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 123941630) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde
PubChem CID123941630
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCC(F)(F)CC2)s1
InChIInChI=1S/C10H11F2NOS/c11-10(12)3-1-7(2-4-10)9-13-5-8(6-14)15-9/h5-7H,1-4H2
InChIKeyYHOIDEJLUJURBG-UHFFFAOYSA-N
XLogP3.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4,4-difluorocyclohexyl)-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-(Propan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 45083848
2-Cyclohexyl-1,3-thiazole-5-carbaldehyde
CID 61282684
2-(2-Methylpropyl)-1,3-thiazole-5-carbaldehyde
CID 61282885
2-Cyclobutyl-1,3-thiazole-5-carbaldehyde
CID 64984031
2-(1,1-Difluoroethyl)-1,3-thiazole-5-carbaldehyde
CID 84767280
2-(1-Fluorocyclobutyl)-1,3-thiazole-5-carbaldehyde
CID 177798520
2-(3,3,3-Trifluoropropyl)-1,3-thiazole-5-carbaldehyde
CID 58378362
2-(4,4,4-Trifluoro-2-oxobutyl)-1,3-thiazole-5-carbaldehyde
CID 58378435
2-(2-Fluoropropan-2-yl)thiazole-5-carbaldehyde
CID 84766430
2-[[1-(3-Fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde
CID 170950858
2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde
CID 170950881
2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde
CID 170950946

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde (CID 123941630) is 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(C2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is YHOIDEJLUJURBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c11-10(12)3-1-7(2-4-10)9-13-5-8(6-14)15-9/h5-7H,1-4H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde?
2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 231.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 123941630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).