N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C9H9N3O2S — CID 3419989

IUPACN,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C9H9N3O2S/c1-5-4-15-9-11-3-6(7(13)10-2)8(14)12(5)9/h3-4H,1-2H3,(H,10,13)
InChIKeyYJOMIVWGPSEBQG-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.42
Rot. Bonds1

About N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3419989) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3419989
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC NameN,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C9H9N3O2S/c1-5-4-15-9-11-3-6(7(13)10-2)8(14)12(5)9/h3-4H,1-2H3,(H,10,13)
InChIKeyYJOMIVWGPSEBQG-UHFFFAOYSA-N
XLogP0.42
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3419989) is N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CNC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YJOMIVWGPSEBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-4-15-9-11-3-6(7(13)10-2)8(14)12(5)9/h3-4H,1-2H3,(H,10,13).
What are the key properties of N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3419989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).