2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide

C14H13F3N2OS — CID 86239638

IUPAC2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)c1nc(-c2ccccc2)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)11-18-10(9-6-4-3-5-7-9)12(21-11)19-13(20)14(15,16)17/h3-8H,1-2H3,(H,19,20)
InChIKeyPEBQGSYHSDAEAG-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.43
Rot. Bonds3

About 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide

2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 86239638) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID86239638
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)c1nc(-c2ccccc2)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)11-18-10(9-6-4-3-5-7-9)12(21-11)19-13(20)14(15,16)17/h3-8H,1-2H3,(H,19,20)
InChIKeyPEBQGSYHSDAEAG-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide (CID 86239638) is 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide is CC(C)c1nc(-c2ccccc2)c(NC(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is PEBQGSYHSDAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-8(2)11-18-10(9-6-4-3-5-7-9)12(21-11)19-13(20)14(15,16)17/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide?
2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 314.33 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 86239638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).