3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H12FN3O2S — CID 17248522

IUPAC3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O
InChIInChI=1S/C19H12FN3O2S/c20-13-8-6-12(7-9-13)16-11-26-19-21-10-15(18(25)23(16)19)17(24)22-14-4-2-1-3-5-14/h1-11H,(H,22,24)
InChIKeyNUDXSEGPSYWXNH-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.81
Rot. Bonds3

About 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248522) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248522
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O
InChIInChI=1S/C19H12FN3O2S/c20-13-8-6-12(7-9-13)16-11-26-19-21-10-15(18(25)23(16)19)17(24)22-14-4-2-1-3-5-14/h1-11H,(H,22,24)
InChIKeyNUDXSEGPSYWXNH-UHFFFAOYSA-N
XLogP3.81
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248522) is 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NUDXSEGPSYWXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-13-8-6-12(7-9-13)16-11-26-19-21-10-15(18(25)23(16)19)17(24)22-14-4-2-1-3-5-14/h1-11H,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).