N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide

C17H15FN2O2S — CID 2115754

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NC1=NCCS1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c18-13-7-5-12(6-8-13)11-22-15-4-2-1-3-14(15)16(21)20-17-19-9-10-23-17/h1-8H,9-11H2,(H,19,20,21)
InChIKeyHSDGIYGIXIIBFS-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.24
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 2115754) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID2115754
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NC1=NCCS1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c18-13-7-5-12(6-8-13)11-22-15-4-2-1-3-14(15)16(21)20-17-19-9-10-23-17/h1-8H,9-11H2,(H,19,20,21)
InChIKeyHSDGIYGIXIIBFS-UHFFFAOYSA-N
XLogP3.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.24
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-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide (CID 2115754) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide is O=C(NC1=NCCS1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is HSDGIYGIXIIBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c18-13-7-5-12(6-8-13)11-22-15-4-2-1-3-14(15)16(21)20-17-19-9-10-23-17/h1-8H,9-11H2,(H,19,20,21).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 330.38 g/mol, XLogP of 3.24, 4 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-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 2115754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).