N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide

C17H11F3N2OS — CID 11631624

IUPACN-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)16(23)22-15-13(11-7-3-1-4-8-11)21-14(24-15)12-9-5-2-6-10-12/h1-10H,(H,22,23)
InChIKeyIIFWRVPGNJBBAB-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.98
Rot. Bonds3

About N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide

N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 11631624) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID11631624
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC NameN-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)16(23)22-15-13(11-7-3-1-4-8-11)21-14(24-15)12-9-5-2-6-10-12/h1-10H,(H,22,23)
InChIKeyIIFWRVPGNJBBAB-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide (CID 11631624) is N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide is O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is IIFWRVPGNJBBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-17(19,20)16(23)22-15-13(11-7-3-1-4-8-11)21-14(24-15)12-9-5-2-6-10-12/h1-10H,(H,22,23).
What are the key properties of N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 348.35 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11631624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).