2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

C22H20FN3O3S — CID 51067292

IUPAC2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C22H20FN3O3S/c23-19-8-4-3-7-18(19)20(27)24-22-26(11-14-30-22)15-16-5-1-2-6-17(16)21(28)25-9-12-29-13-10-25/h1-8,11,14H,9-10,12-13,15H2/b24-22-
InChIKeyVOQXMIBJBODZJC-GYHWCHFESA-N
MW425.49 g/mol
LogP2.95
Rot. Bonds4

About 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 51067292) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID51067292
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C22H20FN3O3S/c23-19-8-4-3-7-18(19)20(27)24-22-26(11-14-30-22)15-16-5-1-2-6-17(16)21(28)25-9-12-29-13-10-25/h1-8,11,14H,9-10,12-13,15H2/b24-22-
InChIKeyVOQXMIBJBODZJC-GYHWCHFESA-N
XLogP2.95
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (CID 51067292) is 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is O=C(/N=c1\sccn1Cc1ccccc1C(=O)N1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is VOQXMIBJBODZJC-GYHWCHFESA-N. The full InChI is InChI=1S/C22H20FN3O3S/c23-19-8-4-3-7-18(19)20(27)24-22-26(11-14-30-22)15-16-5-1-2-6-17(16)21(28)25-9-12-29-13-10-25/h1-8,11,14H,9-10,12-13,15H2/b24-22-.
What are the key properties of 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 425.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[[2-(morpholine-4-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 51067292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).