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

C13H17N3O2S — CID 126470313

IUPAC3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2scc(CC)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h7-8H,4-6H2,1-3H3
InChIKeyGQKQVZJIGCZZMM-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.80
Rot. Bonds4

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

3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470313) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470313
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2scc(CC)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h7-8H,4-6H2,1-3H3
InChIKeyGQKQVZJIGCZZMM-UHFFFAOYSA-N
XLogP1.80
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470313) is 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(C)C(=O)c1cnc2scc(CC)n2c1=O.
What is the InChIKey of 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GQKQVZJIGCZZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-6-15(3)11(17)10-7-14-13-16(12(10)18)9(5-2)8-19-13/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-ethyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.80, 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-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).