(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate

C16H12FN3O4S — CID 7877577

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(F)cc1)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H12FN3O4S/c17-11-3-1-10(2-4-11)15(23)18-8-14(22)24-9-12-7-13(21)20-5-6-25-16(20)19-12/h1-7H,8-9H2,(H,18,23)
InChIKeyDMNMDWSPSLIAGE-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.37
Rot. Bonds5

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7877577) 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-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7877577
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-[(4-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(F)cc1)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H12FN3O4S/c17-11-3-1-10(2-4-11)15(23)18-8-14(22)24-9-12-7-13(21)20-5-6-25-16(20)19-12/h1-7H,8-9H2,(H,18,23)
InChIKeyDMNMDWSPSLIAGE-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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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate (CID 7877577) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(F)cc1)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is DMNMDWSPSLIAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4S/c17-11-3-1-10(2-4-11)15(23)18-8-14(22)24-9-12-7-13(21)20-5-6-25-16(20)19-12/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-[(4-fluorobenzoyl)amino]acetate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-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-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7877577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).