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

C13H17N3O2S — CID 17248337

IUPAC3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCC(C)NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-5-8(2)15-11(17)10-6-14-13-16(12(10)18)9(3)7-19-13/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyZPGAAPNPQHJIQC-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.98
Rot. Bonds4

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

3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248337) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248337
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCC(C)NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-5-8(2)15-11(17)10-6-14-13-16(12(10)18)9(3)7-19-13/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyZPGAAPNPQHJIQC-UHFFFAOYSA-N
XLogP1.98
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248337) is 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCC(C)NC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ZPGAAPNPQHJIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-5-8(2)15-11(17)10-6-14-13-16(12(10)18)9(3)7-19-13/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-pentan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).