N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide

C11H9F3N2OS — CID 2676785

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)8-3-1-2-7(6-8)9(17)16-10-15-4-5-18-10/h1-3,6H,4-5H2,(H,15,16,17)
InChIKeyJFTNBMCRGVAGAE-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.54
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 2676785) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID2676785
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)8-3-1-2-7(6-8)9(17)16-10-15-4-5-18-10/h1-3,6H,4-5H2,(H,15,16,17)
InChIKeyJFTNBMCRGVAGAE-UHFFFAOYSA-N
XLogP2.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 2676785) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(NC1=NCCS1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is JFTNBMCRGVAGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)8-3-1-2-7(6-8)9(17)16-10-15-4-5-18-10/h1-3,6H,4-5H2,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 274.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2676785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).