ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate

C16H16F3NO3S — CID 57180374

IUPACethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(Oc2ccccc2C(F)(F)F)c(C(=O)OCC)s1
InChIInChI=1S/C16H16F3NO3S/c1-3-7-12-20-14(13(24-12)15(21)22-4-2)23-11-9-6-5-8-10(11)16(17,18)19/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVEMJUIDVNMHKOI-UHFFFAOYSA-N
MW359.37 g/mol
LogP5.08
Rot. Bonds6

About ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate

ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate (PubChem CID 57180374) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
PubChem CID57180374
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Nameethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(Oc2ccccc2C(F)(F)F)c(C(=O)OCC)s1
InChIInChI=1S/C16H16F3NO3S/c1-3-7-12-20-14(13(24-12)15(21)22-4-2)23-11-9-6-5-8-10(11)16(17,18)19/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVEMJUIDVNMHKOI-UHFFFAOYSA-N
XLogP5.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate (CID 57180374) is ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate is CCCc1nc(Oc2ccccc2C(F)(F)F)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The InChIKey is VEMJUIDVNMHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-3-7-12-20-14(13(24-12)15(21)22-4-2)23-11-9-6-5-8-10(11)16(17,18)19/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate has a molecular weight of 359.37 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57180374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).