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

C15H12FN3O2S — CID 50834861

IUPAC2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-9-13(14(21)19-5-6-22-15(19)17-9)18-12(20)8-10-3-2-4-11(16)7-10/h2-7H,8H2,1H3,(H,18,20)
InChIKeyACGOBMPYHCPHTQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.38
Rot. Bonds3

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

2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 50834861) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID50834861
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-9-13(14(21)19-5-6-22-15(19)17-9)18-12(20)8-10-3-2-4-11(16)7-10/h2-7H,8H2,1H3,(H,18,20)
InChIKeyACGOBMPYHCPHTQ-UHFFFAOYSA-N
XLogP2.38
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 50834861) is 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is Cc1nc2sccn2c(=O)c1NC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is ACGOBMPYHCPHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-9-13(14(21)19-5-6-22-15(19)17-9)18-12(20)8-10-3-2-4-11(16)7-10/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50834861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).