4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C18H12N4O2S — CID 47068259

IUPAC4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H12N4O2S/c23-16(14-11-20-15-6-1-2-8-22(15)18(14)24)21-13-5-3-4-12(10-13)17-19-7-9-25-17/h1-11H,(H,21,23)
InChIKeyIBWHUTUFQILGBG-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.07
Rot. Bonds3

About 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 47068259) has the molecular formula C18H12N4O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID47068259
Molecular FormulaC18H12N4O2S
Molecular Weight348.39 g/mol
Exact Mass348.07
IUPAC Name4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H12N4O2S/c23-16(14-11-20-15-6-1-2-8-22(15)18(14)24)21-13-5-3-4-12(10-13)17-19-7-9-25-17/h1-11H,(H,21,23)
InChIKeyIBWHUTUFQILGBG-UHFFFAOYSA-N
XLogP3.07
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 47068259) is 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(-c2nccs2)c1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IBWHUTUFQILGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2S/c23-16(14-11-20-15-6-1-2-8-22(15)18(14)24)21-13-5-3-4-12(10-13)17-19-7-9-25-17/h1-11H,(H,21,23).
What are the key properties of 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 47068259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).