3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide

C23H24FN3O3S — CID 57328551

IUPAC3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CCOCc2ccccc2)cs1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H24FN3O3S/c24-19-12-18(13-21(14-19)27-7-10-29-11-8-27)22(28)26-23-25-20(16-31-23)6-9-30-15-17-4-2-1-3-5-17/h1-5,12-14,16H,6-11,15H2,(H,25,26,28)
InChIKeyORXYHMIRKQDNJQ-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.13
Rot. Bonds8

About 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide

3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 57328551) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID57328551
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CCOCc2ccccc2)cs1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H24FN3O3S/c24-19-12-18(13-21(14-19)27-7-10-29-11-8-27)22(28)26-23-25-20(16-31-23)6-9-30-15-17-4-2-1-3-5-17/h1-5,12-14,16H,6-11,15H2,(H,25,26,28)
InChIKeyORXYHMIRKQDNJQ-UHFFFAOYSA-N
XLogP4.13
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide (CID 57328551) is 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CCOCc2ccccc2)cs1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ORXYHMIRKQDNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c24-19-12-18(13-21(14-19)27-7-10-29-11-8-27)22(28)26-23-25-20(16-31-23)6-9-30-15-17-4-2-1-3-5-17/h1-5,12-14,16H,6-11,15H2,(H,25,26,28).
What are the key properties of 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide?
3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-yl-N-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 57328551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).