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

C13H15N3O2S — CID 126470732

IUPAC3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2scc(CC)n2c1=O
InChIInChI=1S/C13H15N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h4,7-8H,1,5-6H2,2-3H3
InChIKeyUWIPHIYCKMEFFM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.58
Rot. Bonds4

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

3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470732) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470732
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2scc(CC)n2c1=O
InChIInChI=1S/C13H15N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h4,7-8H,1,5-6H2,2-3H3
InChIKeyUWIPHIYCKMEFFM-UHFFFAOYSA-N
XLogP1.58
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470732) is 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C=CCN(C)C(=O)c1cnc2scc(CC)n2c1=O.
What is the InChIKey of 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UWIPHIYCKMEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-ethyl-N-methyl-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 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).