3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole

C19H15ClF3NOS — CID 141468350

IUPAC3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1ccccc1OCc1c(-c2ccc(Cl)cc2)nsc1C(F)(F)F
InChIInChI=1S/C19H15ClF3NOS/c1-2-12-5-3-4-6-16(12)25-11-15-17(13-7-9-14(20)10-8-13)24-26-18(15)19(21,22)23/h3-10H,2,11H2,1H3
InChIKeyLCUDAEOUQXKMKZ-UHFFFAOYSA-N
MW397.85 g/mol
LogP6.62
Rot. Bonds5

About 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole

3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 141468350) has the molecular formula C19H15ClF3NOS and a molecular weight of 397.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
PubChem CID141468350
Molecular FormulaC19H15ClF3NOS
Molecular Weight397.85 g/mol
Exact Mass397.05
IUPAC Name3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1ccccc1OCc1c(-c2ccc(Cl)cc2)nsc1C(F)(F)F
InChIInChI=1S/C19H15ClF3NOS/c1-2-12-5-3-4-6-16(12)25-11-15-17(13-7-9-14(20)10-8-13)24-26-18(15)19(21,22)23/h3-10H,2,11H2,1H3
InChIKeyLCUDAEOUQXKMKZ-UHFFFAOYSA-N
XLogP6.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.85
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole (CID 141468350) is 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole is CCc1ccccc1OCc1c(-c2ccc(Cl)cc2)nsc1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is LCUDAEOUQXKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NOS/c1-2-12-5-3-4-6-16(12)25-11-15-17(13-7-9-14(20)10-8-13)24-26-18(15)19(21,22)23/h3-10H,2,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole?
3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 397.85 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 141468350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).