2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde

C6H6FNOS — CID 87945840

IUPAC2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(CF)s1
InChIInChI=1S/C6H6FNOS/c7-3-6-8-4-5(10-6)1-2-9/h2,4H,1,3H2
InChIKeyBVASNMLTXMSFQP-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.35
Rot. Bonds3

About 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 87945840) has the molecular formula C6H6FNOS and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID87945840
Molecular FormulaC6H6FNOS
Molecular Weight159.19 g/mol
Exact Mass159.02
IUPAC Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(CF)s1
InChIInChI=1S/C6H6FNOS/c7-3-6-8-4-5(10-6)1-2-9/h2,4H,1,3H2
InChIKeyBVASNMLTXMSFQP-UHFFFAOYSA-N
XLogP1.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde 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

5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
5-(Propan-2-yl)-1,3-thiazole-2-carbaldehyde
CID 75480714
2-(3,3,3-Trifluoropropyl)-1,3-thiazole-5-carbaldehyde
CID 58378362
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
[Methyl-[2-oxo-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-lambda4-sulfanylidene]cyanamide
CID 141248166
[Cyano-methyl-[2-oxo-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-lambda4-sulfanyl]formonitrile
CID 141382625
2-[2-(3,4,4-Trifluorobut-3-enylsulfanyl)-1,3-thiazol-5-yl]acetaldehyde
CID 155226721
5-(1-Fluoroethyl)-1,3-thiazole-2-carbaldehyde
CID 83853787
5-(Fluoromethyl)-1,3-thiazole-2-carbaldehyde
CID 84762875
5-(2-Fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde
CID 84766428
2-[2-(Fluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 84766832
5-(1,1-Difluoroethyl)-1,3-thiazole-2-carbaldehyde
CID 84767276

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde (CID 87945840) is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde is O=CCc1cnc(CF)s1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is BVASNMLTXMSFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNOS/c7-3-6-8-4-5(10-6)1-2-9/h2,4H,1,3H2.
What are the key properties of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 87945840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).