N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C12H11F3N2OS — CID 3256948

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC1=NCCS1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)9-3-1-2-8(6-9)7-10(18)17-11-16-4-5-19-11/h1-3,6H,4-5,7H2,(H,16,17,18)
InChIKeyZTSWUDKANLNTHB-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.47
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3256948) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3256948
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC1=NCCS1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)9-3-1-2-8(6-9)7-10(18)17-11-16-4-5-19-11/h1-3,6H,4-5,7H2,(H,16,17,18)
InChIKeyZTSWUDKANLNTHB-UHFFFAOYSA-N
XLogP2.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.47
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)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 3256948) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZTSWUDKANLNTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)9-3-1-2-8(6-9)7-10(18)17-11-16-4-5-19-11/h1-3,6H,4-5,7H2,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 288.29 g/mol, XLogP of 2.47, 2 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)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3256948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).