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

C13H15N3O2S — CID 126471064

IUPACN,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H15N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h5,7H,1,6H2,2-4H3
InChIKeyPQMXUWZQWSXSDK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds3

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

N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471064) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471064
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H15N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h5,7H,1,6H2,2-4H3
InChIKeyPQMXUWZQWSXSDK-UHFFFAOYSA-N
XLogP1.63
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[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 N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471064) is N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C=CCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O.
What is the InChIKey of N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PQMXUWZQWSXSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h5,7H,1,6H2,2-4H3.
What are the key properties of N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).