4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C14H11N3O2S — CID 126470589

IUPAC4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESC=CCNC(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C14H11N3O2S/c1-2-7-15-12(18)9-8-16-14-17(13(9)19)10-5-3-4-6-11(10)20-14/h2-6,8H,1,7H2,(H,15,18)
InChIKeySQLTYWKAIIZPLA-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.83
Rot. Bonds3

About 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 126470589) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID126470589
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESC=CCNC(=O)c1cnc2sc3ccccc3n2c1=O
InChIInChI=1S/C14H11N3O2S/c1-2-7-15-12(18)9-8-16-14-17(13(9)19)10-5-3-4-6-11(10)20-14/h2-6,8H,1,7H2,(H,15,18)
InChIKeySQLTYWKAIIZPLA-UHFFFAOYSA-N
XLogP1.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-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 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 126470589) is 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is C=CCNC(=O)c1cnc2sc3ccccc3n2c1=O.
What is the InChIKey of 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is SQLTYWKAIIZPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-2-7-15-12(18)9-8-16-14-17(13(9)19)10-5-3-4-6-11(10)20-14/h2-6,8H,1,7H2,(H,15,18).
What are the key properties of 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-prop-2-enylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 126470589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).