[2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate

C14H12F3NO2S — CID 174582622

IUPAC[2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate
SMILESCc1ncsc1C(COC=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-9-13(21-7-18-9)12(6-20-8-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,7-8,12H,6H2,1H3
InChIKeyQDRSXINCXVZLHK-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.78
Rot. Bonds5

About [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate

[2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate (PubChem CID 174582622) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate.

Molecular Properties

Compound Name[2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate
PubChem CID174582622
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name[2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate
SMILESCc1ncsc1C(COC=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-9-13(21-7-18-9)12(6-20-8-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,7-8,12H,6H2,1H3
InChIKeyQDRSXINCXVZLHK-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethyl] nitrate
CID 54670644
[2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] nitrate
CID 54670645
2-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethanol
CID 54670925
2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 54670924
1-(4-Methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 69533372
[5-[2-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate
CID 90735538
[2-Fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate
CID 170671221
[2-(1,3-Thiazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate
CID 174431660
[2-[4-(Morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-2-[4-(trifluoromethyl)phenyl]ethyl] formate
CID 174564572
[2-(4-Fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate
CID 174567790
[2-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate
CID 174567811
[2-(1,3-Thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate
CID 174582638

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate?
The IUPAC name of [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate (CID 174582622) is [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate.
What is the SMILES notation for [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate?
The canonical SMILES for [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate is Cc1ncsc1C(COC=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate?
The InChIKey is QDRSXINCXVZLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-9-13(21-7-18-9)12(6-20-8-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,7-8,12H,6H2,1H3.
What are the key properties of [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate?
[2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate has a molecular weight of 315.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl] formate is sourced from PubChem (CID 174582622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).