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

C8H7N3O3S — CID 42892250

IUPACN-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C8H7N3O3S/c1-14-10-6(12)5-4-9-8-11(7(5)13)2-3-15-8/h2-4H,1H3,(H,10,12)
InChIKeyPJXOIZJMOKDNFM-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.05
Rot. Bonds2

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

N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42892250) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42892250
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC NameN-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C8H7N3O3S/c1-14-10-6(12)5-4-9-8-11(7(5)13)2-3-15-8/h2-4H,1H3,(H,10,12)
InChIKeyPJXOIZJMOKDNFM-UHFFFAOYSA-N
XLogP0.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42892250) is N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CONC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PJXOIZJMOKDNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-14-10-6(12)5-4-9-8-11(7(5)13)2-3-15-8/h2-4H,1H3,(H,10,12).
What are the key properties of N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 225.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42892250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).