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

C17H15FN2O2S — CID 39954702

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2S/c18-14-6-4-12(5-7-14)11-22-15-3-1-2-13(10-15)16(21)20-17-19-8-9-23-17/h1-7,10H,8-9,11H2,(H,19,20,21)
InChIKeyXDXUPELLPNJNQP-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.24
Rot. Bonds4

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 39954702) 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)-3-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide
PubChem CID39954702
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2S/c18-14-6-4-12(5-7-14)11-22-15-3-1-2-13(10-15)16(21)20-17-19-8-9-23-17/h1-7,10H,8-9,11H2,(H,19,20,21)
InChIKeyXDXUPELLPNJNQP-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)-3-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide (CID 39954702) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide is O=C(NC1=NCCS1)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is XDXUPELLPNJNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c18-14-6-4-12(5-7-14)11-22-15-3-1-2-13(10-15)16(21)20-17-19-8-9-23-17/h1-7,10H,8-9,11H2,(H,19,20,21).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-fluorophenyl)methoxy]benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(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)-3-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 39954702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).