4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C13H8FN3O2S — CID 801344

IUPAC4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C13H8FN3O2S/c14-9-3-1-8(2-4-9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-7H,(H,16,18)
InChIKeyOCIIPIQZGIQMNU-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.15
Rot. Bonds2

About 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 801344) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID801344
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Name4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C13H8FN3O2S/c14-9-3-1-8(2-4-9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-7H,(H,16,18)
InChIKeyOCIIPIQZGIQMNU-UHFFFAOYSA-N
XLogP2.15
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 2962300
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
4-fluoro-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
2-chloro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380034
2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380036
N-[1-(4,5-Dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2942103
1-(2,6-difluorobenzoyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 3243830
N-[(4-fluorophenyl)methyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 801344) is 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is O=C(Nc1cnc2sccn2c1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is OCIIPIQZGIQMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c14-9-3-1-8(2-4-9)11(18)16-10-7-15-13-17(12(10)19)5-6-20-13/h1-7H,(H,16,18).
What are the key properties of 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 289.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 801344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).