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

C15H21N3O2S — CID 16933472

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C15H21N3O2S/c1-4-6-11(7-5-2)13(19)17-12-10(3)16-15-18(14(12)20)8-9-21-15/h8-9,11H,4-7H2,1-3H3,(H,17,19)
InChIKeyPKBBTJAJHLIPGR-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.22
Rot. Bonds6

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

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide (PubChem CID 16933472) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide
PubChem CID16933472
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C15H21N3O2S/c1-4-6-11(7-5-2)13(19)17-12-10(3)16-15-18(14(12)20)8-9-21-15/h8-9,11H,4-7H2,1-3H3,(H,17,19)
InChIKeyPKBBTJAJHLIPGR-UHFFFAOYSA-N
XLogP3.22
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide 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-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide (CID 16933472) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1c(C)nc2sccn2c1=O.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
The InChIKey is PKBBTJAJHLIPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-6-11(7-5-2)13(19)17-12-10(3)16-15-18(14(12)20)8-9-21-15/h8-9,11H,4-7H2,1-3H3,(H,17,19).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide has a molecular weight of 307.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide is sourced from PubChem (CID 16933472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).