N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide

C13H11F3N2O2S — CID 95153133

IUPACN-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C13H11F3N2O2S/c1-8(12-17-6-7-21-12)18-11(19)9-2-4-10(5-3-9)20-13(14,15)16/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeyHOOFKUOCIGEMPZ-MRVPVSSYSA-N
MW316.30 g/mol
LogP3.53
Rot. Bonds4

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

N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 95153133) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID95153133
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C13H11F3N2O2S/c1-8(12-17-6-7-21-12)18-11(19)9-2-4-10(5-3-9)20-13(14,15)16/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeyHOOFKUOCIGEMPZ-MRVPVSSYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 97146505
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61331512
4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55852205
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 45188260
6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 54674404

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 95153133) is N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide is C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1nccs1.
What is the InChIKey of N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is HOOFKUOCIGEMPZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-8(12-17-6-7-21-12)18-11(19)9-2-4-10(5-3-9)20-13(14,15)16/h2-8H,1H3,(H,18,19)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 316.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 95153133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).