5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C23H16F3N3O3S2 — CID 45272866

IUPAC5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cnc(NC(=O)c3ccccc3)s2)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C23H16F3N3O3S2/c24-23(25,26)15-9-5-4-8-14(15)12-32-16-10-17(33-19(16)20(27)30)18-11-28-22(34-18)29-21(31)13-6-2-1-3-7-13/h1-11H,12H2,(H2,27,30)(H,28,29,31)
InChIKeyIUHBQAJATBWOCT-UHFFFAOYSA-N
MW503.53 g/mol
LogP5.82
Rot. Bonds7

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

5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 45272866) has the molecular formula C23H16F3N3O3S2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID45272866
Molecular FormulaC23H16F3N3O3S2
Molecular Weight503.53 g/mol
Exact Mass503.06
IUPAC Name5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cnc(NC(=O)c3ccccc3)s2)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C23H16F3N3O3S2/c24-23(25,26)15-9-5-4-8-14(15)12-32-16-10-17(33-19(16)20(27)30)18-11-28-22(34-18)29-21(31)13-6-2-1-3-7-13/h1-11H,12H2,(H2,27,30)(H,28,29,31)
InChIKeyIUHBQAJATBWOCT-UHFFFAOYSA-N
XLogP5.82
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.53
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 45272866) is 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-c2cnc(NC(=O)c3ccccc3)s2)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is IUHBQAJATBWOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3S2/c24-23(25,26)15-9-5-4-8-14(15)12-32-16-10-17(33-19(16)20(27)30)18-11-28-22(34-18)29-21(31)13-6-2-1-3-7-13/h1-11H,12H2,(H2,27,30)(H,28,29,31).
What are the key properties of 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzamido-1,3-thiazol-5-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 45272866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).