3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide

C20H14FN3O2S2 — CID 46336433

IUPAC3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1cc(=O)n2ccsc2n1)c1cccc(F)c1
InChIInChI=1S/C20H14FN3O2S2/c21-14-5-3-4-13(10-14)19(26)23-16-6-1-2-7-17(16)28-12-15-11-18(25)24-8-9-27-20(24)22-15/h1-11H,12H2,(H,23,26)
InChIKeyFJJAWVNLXDALNM-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.44
Rot. Bonds5

About 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide

3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide (PubChem CID 46336433) has the molecular formula C20H14FN3O2S2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide
PubChem CID46336433
Molecular FormulaC20H14FN3O2S2
Molecular Weight411.48 g/mol
Exact Mass411.05
IUPAC Name3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1cc(=O)n2ccsc2n1)c1cccc(F)c1
InChIInChI=1S/C20H14FN3O2S2/c21-14-5-3-4-13(10-14)19(26)23-16-6-1-2-7-17(16)28-12-15-11-18(25)24-8-9-27-20(24)22-15/h1-11H,12H2,(H,23,26)
InChIKeyFJJAWVNLXDALNM-UHFFFAOYSA-N
XLogP4.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide (CID 46336433) is 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide is O=C(Nc1ccccc1SCc1cc(=O)n2ccsc2n1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide?
The InChIKey is FJJAWVNLXDALNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S2/c21-14-5-3-4-13(10-14)19(26)23-16-6-1-2-7-17(16)28-12-15-11-18(25)24-8-9-27-20(24)22-15/h1-11H,12H2,(H,23,26).
What are the key properties of 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide?
3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide has a molecular weight of 411.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide is sourced from PubChem (CID 46336433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).