4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide

C16H15F3N2OS — CID 99783883

IUPAC4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide
SMILESC=Cc1ccc(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C16H15F3N2OS/c1-3-10-5-7-11(8-6-10)14(22)20-12(4-2)15-21-13(9-23-15)16(17,18)19/h3,5-9,12H,1,4H2,2H3,(H,20,22)/t12-/m1/s1
InChIKeySZPBULIXMFQUIJ-GFCCVEGCSA-N
MW340.37 g/mol
LogP4.69
Rot. Bonds5

About 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide

4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide (PubChem CID 99783883) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide
PubChem CID99783883
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide
SMILESC=Cc1ccc(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C16H15F3N2OS/c1-3-10-5-7-11(8-6-10)14(22)20-12(4-2)15-21-13(9-23-15)16(17,18)19/h3,5-9,12H,1,4H2,2H3,(H,20,22)/t12-/m1/s1
InChIKeySZPBULIXMFQUIJ-GFCCVEGCSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide?
The IUPAC name of 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide (CID 99783883) is 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide is C=Cc1ccc(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide?
The InChIKey is SZPBULIXMFQUIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-3-10-5-7-11(8-6-10)14(22)20-12(4-2)15-21-13(9-23-15)16(17,18)19/h3,5-9,12H,1,4H2,2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide?
4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide has a molecular weight of 340.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide is sourced from PubChem (CID 99783883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).