2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide

C15H14N4O3S — CID 16933508

IUPAC2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C15H14N4O3S/c1-3-22-13-10(5-4-6-16-13)12(20)18-11-9(2)17-15-19(14(11)21)7-8-23-15/h4-8H,3H2,1-2H3,(H,18,20)
InChIKeyFDPSGXFJRWSBGZ-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.11
Rot. Bonds4

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

2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide (PubChem CID 16933508) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide
PubChem CID16933508
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C15H14N4O3S/c1-3-22-13-10(5-4-6-16-13)12(20)18-11-9(2)17-15-19(14(11)21)7-8-23-15/h4-8H,3H2,1-2H3,(H,18,20)
InChIKeyFDPSGXFJRWSBGZ-UHFFFAOYSA-N
XLogP2.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide (CID 16933508) is 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1c(C)nc2sccn2c1=O.
What is the InChIKey of 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide?
The InChIKey is FDPSGXFJRWSBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-3-22-13-10(5-4-6-16-13)12(20)18-11-9(2)17-15-19(14(11)21)7-8-23-15/h4-8H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide?
2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 16933508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).