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

C14H12F4N2O2S — CID 91830961

IUPAC2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C14H12F4N2O2S/c15-13(16)14(17,18)22-11-4-2-1-3-10(11)12(21)19-6-5-9-7-23-8-20-9/h1-4,7-8,13H,5-6H2,(H,19,21)
InChIKeyZDAOWOYHZWPUIG-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.35
Rot. Bonds7

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

2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 91830961) has the molecular formula C14H12F4N2O2S and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID91830961
Molecular FormulaC14H12F4N2O2S
Molecular Weight348.32 g/mol
Exact Mass348.06
IUPAC Name2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C14H12F4N2O2S/c15-13(16)14(17,18)22-11-4-2-1-3-10(11)12(21)19-6-5-9-7-23-8-20-9/h1-4,7-8,13H,5-6H2,(H,19,21)
InChIKeyZDAOWOYHZWPUIG-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 135091161
2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55522659
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 63824011
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
2-hydroxy-3-(2-methylphenoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 77092842

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 91830961) is 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1cscn1)c1ccccc1OC(F)(F)C(F)F.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is ZDAOWOYHZWPUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O2S/c15-13(16)14(17,18)22-11-4-2-1-3-10(11)12(21)19-6-5-9-7-23-8-20-9/h1-4,7-8,13H,5-6H2,(H,19,21).
What are the key properties of 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 348.32 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 91830961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).