N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C18H24N2O3S — CID 170512984

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2nc(CC)cs2)c(=O)o1
InChIInChI=1S/C18H24N2O3S/c1-5-7-11(3)14-8-12(4)16(18(22)23-14)17(21)19-9-15-20-13(6-2)10-24-15/h8,10-11H,5-7,9H2,1-4H3,(H,19,21)
InChIKeyQMMZREYPFMJVPA-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.80
Rot. Bonds7

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170512984) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170512984
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2nc(CC)cs2)c(=O)o1
InChIInChI=1S/C18H24N2O3S/c1-5-7-11(3)14-8-12(4)16(18(22)23-14)17(21)19-9-15-20-13(6-2)10-24-15/h8,10-11H,5-7,9H2,1-4H3,(H,19,21)
InChIKeyQMMZREYPFMJVPA-UHFFFAOYSA-N
XLogP3.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170502855
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170508082
4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
CID 171713320
4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide
CID 170512627
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170505762
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869241
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
methyl 2-[4-(4-methyl-2-oxo-6-pentan-2-ylpyran-3-carbonyl)piperazin-1-yl]acetate
CID 170505504
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172658355
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170512984) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCc2nc(CC)cs2)c(=O)o1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is QMMZREYPFMJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-7-11(3)14-8-12(4)16(18(22)23-14)17(21)19-9-15-20-13(6-2)10-24-15/h8,10-11H,5-7,9H2,1-4H3,(H,19,21).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170512984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).