(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate

C16H12FN3O4S — CID 4313208

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H12FN3O4S/c17-12-4-2-1-3-11(12)15(23)18-8-14(22)24-9-10-7-13(21)20-5-6-25-16(20)19-10/h1-7H,8-9H2,(H,18,23)
InChIKeyDHXMFLYVBHUHGL-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.37
Rot. Bonds5

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 4313208) has the molecular formula C16H12FN3O4S and a molecular weight of 361.35 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID4313208
Molecular FormulaC16H12FN3O4S
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H12FN3O4S/c17-12-4-2-1-3-11(12)15(23)18-8-14(22)24-9-10-7-13(21)20-5-6-25-16(20)19-10/h1-7H,8-9H2,(H,18,23)
InChIKeyDHXMFLYVBHUHGL-UHFFFAOYSA-N
XLogP1.37
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-amino-2-((2-((2-methoxyethyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135521429
{3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 2-[(4-chlorophenyl)formamido]acetate
CID 7899222
{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-[(3-methylphenyl)formamido]acetate
CID 16026661
[5-Oxo-2-(propan-2-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL]methyl 2-(phenylformamido)acetate
CID 16026681
{2-Ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl 2-(phenylformamido)acetate
CID 16026687
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(benzoylamino)acetate
CID 16026717
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-[(4-methylphenyl)formamido]acetate
CID 16026772
{2-Cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl 2-[(4-fluorophenyl)formamido]acetate
CID 16026779
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 2400757
(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N-(4-chlorobenzoyl)glycinate
CID 7878585
(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-chlorobenzoyl)amino]acetate
CID 16026754
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-[(4-fluorophenyl)formamido]acetate
CID 16026770

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate (CID 4313208) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is DHXMFLYVBHUHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4S/c17-12-4-2-1-3-11(12)15(23)18-8-14(22)24-9-10-7-13(21)20-5-6-25-16(20)19-10/h1-7H,8-9H2,(H,18,23).
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 361.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 4313208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).