2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

C15H12FN3O3S — CID 50834886

IUPAC2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O3S/c1-9-13(14(21)19-6-7-23-15(19)17-9)18-12(20)8-22-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20)
InChIKeyICIFTGBAUPGVCW-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.22
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 50834886) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID50834886
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O3S/c1-9-13(14(21)19-6-7-23-15(19)17-9)18-12(20)8-22-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20)
InChIKeyICIFTGBAUPGVCW-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
CID 16933416
4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933440
2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide
CID 16933508
2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933497
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-fluorophenoxy)acetate
CID 7791374
6-(4-butoxyphenyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91455885
methyl 4-[[2-(4-fluorophenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748123
7-[[4-(4-fluorobenzoyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2440425
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 46299924
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methylphenoxy)acetamide
CID 122357173
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122357170

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 50834886) is 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is Cc1nc2sccn2c(=O)c1NC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is ICIFTGBAUPGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-9-13(14(21)19-6-7-23-15(19)17-9)18-12(20)8-22-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 333.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50834886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).