3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H11N3O3S — CID 126470273

IUPAC3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCONC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C11H11N3O3S/c1-3-4-17-13-9(15)8-5-12-11-14(10(8)16)7(2)6-18-11/h3,5-6H,1,4H2,2H3,(H,13,15)
InChIKeyBRNSPUGXBYHWDN-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.91
Rot. Bonds4

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

3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470273) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470273
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCONC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C11H11N3O3S/c1-3-4-17-13-9(15)8-5-12-11-14(10(8)16)7(2)6-18-11/h3,5-6H,1,4H2,2H3,(H,13,15)
InChIKeyBRNSPUGXBYHWDN-UHFFFAOYSA-N
XLogP0.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470273) is 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C=CCONC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BRNSPUGXBYHWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-3-4-17-13-9(15)8-5-12-11-14(10(8)16)7(2)6-18-11/h3,5-6H,1,4H2,2H3,(H,13,15).
What are the key properties of 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).