1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one

C15H14F3NOS — CID 134444726

IUPAC1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(CC)cc2)nsc1C(F)(F)F
InChIInChI=1S/C15H14F3NOS/c1-3-9-5-7-10(8-6-9)13-12(11(20)4-2)14(21-19-13)15(16,17)18/h5-8H,3-4H2,1-2H3
InChIKeyZHLNWPGVNDUPGH-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.98
Rot. Bonds4

About 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one

1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one (PubChem CID 134444726) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one
PubChem CID134444726
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(CC)cc2)nsc1C(F)(F)F
InChIInChI=1S/C15H14F3NOS/c1-3-9-5-7-10(8-6-9)13-12(11(20)4-2)14(21-19-13)15(16,17)18/h5-8H,3-4H2,1-2H3
InChIKeyZHLNWPGVNDUPGH-UHFFFAOYSA-N
XLogP4.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one?
The IUPAC name of 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one (CID 134444726) is 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one is CCC(=O)c1c(-c2ccc(CC)cc2)nsc1C(F)(F)F.
What is the InChIKey of 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one?
The InChIKey is ZHLNWPGVNDUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-3-9-5-7-10(8-6-9)13-12(11(20)4-2)14(21-19-13)15(16,17)18/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one?
1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one has a molecular weight of 313.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one is sourced from PubChem (CID 134444726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).