N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

C13H11F3N2OS — CID 110717526

IUPACN-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cncs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-9(2-4-10)12(19)18-6-5-11-7-17-8-20-11/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyPQJQWJYMTZENEY-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110717526) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID110717526
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cncs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-9(2-4-10)12(19)18-6-5-11-7-17-8-20-11/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyPQJQWJYMTZENEY-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717499
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717697
3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717489
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110368479
N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62760382
N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide;hydroiodide
CID 111349841
2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
CID 104579127
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 20533940
1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea
CID 110747780
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 110717526) is N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCc1cncs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is PQJQWJYMTZENEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-9(2-4-10)12(19)18-6-5-11-7-17-8-20-11/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110717526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).