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

C16H14FN3O2S — CID 53019402

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H14FN3O2S/c1-9-8-23-16-18-10(2)14(15(22)20(9)16)19-13(21)7-11-4-3-5-12(17)6-11/h3-6,8H,7H2,1-2H3,(H,19,21)
InChIKeyXWSAUMCVZCQXGC-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.69
Rot. Bonds3

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

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide (PubChem CID 53019402) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide
PubChem CID53019402
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H14FN3O2S/c1-9-8-23-16-18-10(2)14(15(22)20(9)16)19-13(21)7-11-4-3-5-12(17)6-11/h3-6,8H,7H2,1-2H3,(H,19,21)
InChIKeyXWSAUMCVZCQXGC-UHFFFAOYSA-N
XLogP2.69
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide (CID 53019402) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide?
The InChIKey is XWSAUMCVZCQXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-9-8-23-16-18-10(2)14(15(22)20(9)16)19-13(21)7-11-4-3-5-12(17)6-11/h3-6,8H,7H2,1-2H3,(H,19,21).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 53019402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).