4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole

C19H16F3NOS — CID 69176846

IUPAC4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole
SMILESCOc1ccccc1-c1c(C(F)(F)F)nsc1CCc1ccccc1
InChIInChI=1S/C19H16F3NOS/c1-24-15-10-6-5-9-14(15)17-16(25-23-18(17)19(20,21)22)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyVJLAPZHVEOAXNJ-UHFFFAOYSA-N
MW363.40 g/mol
LogP5.62
Rot. Bonds5

About 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole

4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole (PubChem CID 69176846) has the molecular formula C19H16F3NOS and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole
PubChem CID69176846
Molecular FormulaC19H16F3NOS
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole
SMILESCOc1ccccc1-c1c(C(F)(F)F)nsc1CCc1ccccc1
InChIInChI=1S/C19H16F3NOS/c1-24-15-10-6-5-9-14(15)17-16(25-23-18(17)19(20,21)22)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyVJLAPZHVEOAXNJ-UHFFFAOYSA-N
XLogP5.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole (CID 69176846) is 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole is COc1ccccc1-c1c(C(F)(F)F)nsc1CCc1ccccc1.
What is the InChIKey of 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole?
The InChIKey is VJLAPZHVEOAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NOS/c1-24-15-10-6-5-9-14(15)17-16(25-23-18(17)19(20,21)22)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole?
4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole has a molecular weight of 363.40 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-(2-phenylethyl)-3-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 69176846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).