4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

C8H9ClF3NOS — CID 43138136

IUPAC4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)(F)COCCc1nc(CCl)cs1
InChIInChI=1S/C8H9ClF3NOS/c9-3-6-4-15-7(13-6)1-2-14-5-8(10,11)12/h4H,1-3,5H2
InChIKeyMORDIFPLEWJNFO-UHFFFAOYSA-N
MW259.68 g/mol
LogP3.00
Rot. Bonds5

About 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 43138136) has the molecular formula C8H9ClF3NOS and a molecular weight of 259.68 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
PubChem CID43138136
Molecular FormulaC8H9ClF3NOS
Molecular Weight259.68 g/mol
Exact Mass259.00
IUPAC Name4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)(F)COCCc1nc(CCl)cs1
InChIInChI=1S/C8H9ClF3NOS/c9-3-6-4-15-7(13-6)1-2-14-5-8(10,11)12/h4H,1-3,5H2
InChIKeyMORDIFPLEWJNFO-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole 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

4-(Chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
CID 165998426
O-ethyl [(S)-chloro-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]sulfanylmethanethioate
CID 22817069
4-(Chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 43138134
4-(Chloromethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazole
CID 43138137
4-(Chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 43138233
4-(Chloromethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-1,3-thiazole
CID 43138234
4-(Chloromethyl)-2-[3-(2,2,3,3-tetrafluoropropoxy)propyl]-1,3-thiazole
CID 43138235
4-(Chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole
CID 54966697
4-(Chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 61392865
4-(Chloromethyl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 61695877
4-(Chloromethyl)-2-[1-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazole
CID 61700871
4-(Chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole
CID 66275908

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (CID 43138136) is 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is FC(F)(F)COCCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is MORDIFPLEWJNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NOS/c9-3-6-4-15-7(13-6)1-2-14-5-8(10,11)12/h4H,1-3,5H2.
What are the key properties of 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 259.68 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 43138136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).