4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide

C20H17F3N2O2S — CID 30349940

IUPAC4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2S/c1-13-17(28-19(25-13)14-6-3-2-4-7-14)18(26)24-10-11-27-16-9-5-8-15(12-16)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyKYVZRHMHRLDJRV-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.95
Rot. Bonds6

About 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 30349940) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID30349940
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2S/c1-13-17(28-19(25-13)14-6-3-2-4-7-14)18(26)24-10-11-27-16-9-5-8-15(12-16)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyKYVZRHMHRLDJRV-UHFFFAOYSA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide (CID 30349940) is 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KYVZRHMHRLDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-13-17(28-19(25-13)14-6-3-2-4-7-14)18(26)24-10-11-27-16-9-5-8-15(12-16)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26).
What are the key properties of 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30349940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).