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

C22H20FN3O2S — CID 51067139

IUPAC4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H20FN3O2S/c23-18-9-7-16(8-10-18)20(27)24-22-26(13-14-29-22)15-17-5-1-2-6-19(17)21(28)25-11-3-4-12-25/h1-2,5-10,13-14H,3-4,11-12,15H2/b24-22-
InChIKeyCHYLPMABHQVBAF-GYHWCHFESA-N
MW409.49 g/mol
LogP3.71
Rot. Bonds4

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

4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 51067139) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID51067139
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H20FN3O2S/c23-18-9-7-16(8-10-18)20(27)24-22-26(13-14-29-22)15-17-5-1-2-6-19(17)21(28)25-11-3-4-12-25/h1-2,5-10,13-14H,3-4,11-12,15H2/b24-22-
InChIKeyCHYLPMABHQVBAF-GYHWCHFESA-N
XLogP3.71
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (CID 51067139) is 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is O=C(/N=c1\sccn1Cc1ccccc1C(=O)N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is CHYLPMABHQVBAF-GYHWCHFESA-N. The full InChI is InChI=1S/C22H20FN3O2S/c23-18-9-7-16(8-10-18)20(27)24-22-26(13-14-29-22)15-17-5-1-2-6-19(17)21(28)25-11-3-4-12-25/h1-2,5-10,13-14H,3-4,11-12,15H2/b24-22-.
What are the key properties of 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 409.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 51067139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).