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

C13H13N3O2S — CID 126469813

IUPAC3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC#CCN(C)C(=O)c1cnc2scc(CC)n2c1=O
InChIInChI=1S/C13H13N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h1,7-8H,5-6H2,2-3H3
InChIKeyDCYNWNSCJJARHK-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.02
Rot. Bonds3

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

3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469813) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469813
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC#CCN(C)C(=O)c1cnc2scc(CC)n2c1=O
InChIInChI=1S/C13H13N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h1,7-8H,5-6H2,2-3H3
InChIKeyDCYNWNSCJJARHK-UHFFFAOYSA-N
XLogP1.02
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469813) is 3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[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-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DCYNWNSCJJARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h1,7-8H,5-6H2,2-3H3.
What are the key properties of 3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.02, 3 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-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).