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

C12H11F3N2O2S — CID 47231378

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1=NCCS1
InChIInChI=1S/C12H11F3N2O2S/c13-12(14,15)19-9-3-1-8(2-4-9)7-10(18)17-11-16-5-6-20-11/h1-4H,5-7H2,(H,16,17,18)
InChIKeyZQRIZSVZXOMYON-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.35
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 47231378) has the molecular formula C12H11F3N2O2S and a molecular weight of 304.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID47231378
Molecular FormulaC12H11F3N2O2S
Molecular Weight304.29 g/mol
Exact Mass304.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1=NCCS1
InChIInChI=1S/C12H11F3N2O2S/c13-12(14,15)19-9-3-1-8(2-4-9)7-10(18)17-11-16-5-6-20-11/h1-4H,5-7H2,(H,16,17,18)
InChIKeyZQRIZSVZXOMYON-UHFFFAOYSA-N
XLogP2.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 47231378) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is ZQRIZSVZXOMYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S/c13-12(14,15)19-9-3-1-8(2-4-9)7-10(18)17-11-16-5-6-20-11/h1-4H,5-7H2,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 304.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 47231378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).