N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide

C15H21N3O2S — CID 50820740

IUPACN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide
SMILESCCc1csc2nc(C)c(NC(=O)CC(C)(C)C)c(=O)n12
InChIInChI=1S/C15H21N3O2S/c1-6-10-8-21-14-16-9(2)12(13(20)18(10)14)17-11(19)7-15(3,4)5/h8H,6-7H2,1-5H3,(H,17,19)
InChIKeyFROKTBCCMQFGPH-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.00
Rot. Bonds3

About N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide

N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide (PubChem CID 50820740) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide
PubChem CID50820740
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide
SMILESCCc1csc2nc(C)c(NC(=O)CC(C)(C)C)c(=O)n12
InChIInChI=1S/C15H21N3O2S/c1-6-10-8-21-14-16-9(2)12(13(20)18(10)14)17-11(19)7-15(3,4)5/h8H,6-7H2,1-5H3,(H,17,19)
InChIKeyFROKTBCCMQFGPH-UHFFFAOYSA-N
XLogP3.00
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide 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 N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide (CID 50820740) is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide is CCc1csc2nc(C)c(NC(=O)CC(C)(C)C)c(=O)n12.
What is the InChIKey of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide?
The InChIKey is FROKTBCCMQFGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-10-8-21-14-16-9(2)12(13(20)18(10)14)17-11(19)7-15(3,4)5/h8H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide?
N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide has a molecular weight of 307.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 50820740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).