5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C16H12F3N3O2S — CID 141145958

IUPAC5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2ccnc2)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-4-2-1-3-10(11)8-24-12-7-13(22-6-5-21-9-22)25-14(12)15(20)23/h1-7,9H,8H2,(H2,20,23)
InChIKeyPTZUQUHNEPNRJW-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.63
Rot. Bonds5

About 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 141145958) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID141145958
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2ccnc2)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-4-2-1-3-10(11)8-24-12-7-13(22-6-5-21-9-22)25-14(12)15(20)23/h1-7,9H,8H2,(H2,20,23)
InChIKeyPTZUQUHNEPNRJW-UHFFFAOYSA-N
XLogP3.63
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 141145958) is 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-n2ccnc2)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is PTZUQUHNEPNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)11-4-2-1-3-10(11)8-24-12-7-13(22-6-5-21-9-22)25-14(12)15(20)23/h1-7,9H,8H2,(H2,20,23).
What are the key properties of 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 141145958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).