2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C23H20FN3O3S — CID 86890376

IUPAC2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(COc1ccc(F)cc1)NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O
InChIInChI=1S/C23H20FN3O3S/c1-15(14-30-18-9-7-17(24)8-10-18)26-21(28)20-12-25-23-27(22(20)29)13-19(31-23)11-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H,26,28)
InChIKeyAUEOXCALOWZRTI-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.68
Rot. Bonds7

About 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 86890376) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID86890376
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(COc1ccc(F)cc1)NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O
InChIInChI=1S/C23H20FN3O3S/c1-15(14-30-18-9-7-17(24)8-10-18)26-21(28)20-12-25-23-27(22(20)29)13-19(31-23)11-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H,26,28)
InChIKeyAUEOXCALOWZRTI-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 86890376) is 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(COc1ccc(F)cc1)NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O.
What is the InChIKey of 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AUEOXCALOWZRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-15(14-30-18-9-7-17(24)8-10-18)26-21(28)20-12-25-23-27(22(20)29)13-19(31-23)11-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H,26,28).
What are the key properties of 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 86890376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).