2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide

C20H16F4N2OS — CID 7119190

IUPAC2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F4N2OS/c21-16-7-1-13(2-8-16)11-18(27)25-10-9-17-12-28-19(26-17)14-3-5-15(6-4-14)20(22,23)24/h1-8,12H,9-11H2,(H,25,27)
InChIKeyUIKXAZASGHSBEH-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.87
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 7119190) has the molecular formula C20H16F4N2OS and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID7119190
Molecular FormulaC20H16F4N2OS
Molecular Weight408.42 g/mol
Exact Mass408.09
IUPAC Name2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F4N2OS/c21-16-7-1-13(2-8-16)11-18(27)25-10-9-17-12-28-19(26-17)14-3-5-15(6-4-14)20(22,23)24/h1-8,12H,9-11H2,(H,25,27)
InChIKeyUIKXAZASGHSBEH-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2591198
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CID 7119106
CID 7119106
CID 16032033
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CID 7216615
CID 7216615
CID 23645940
CID 23645940
CID 23645941
CID 23645941
CID 11034349
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CID 7522100
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CID 46231380
CID 46231380

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 7119190) is 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is UIKXAZASGHSBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2OS/c21-16-7-1-13(2-8-16)11-18(27)25-10-9-17-12-28-19(26-17)14-3-5-15(6-4-14)20(22,23)24/h1-8,12H,9-11H2,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 408.42 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 7119190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).