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

C17H22N2O3S — CID 170502855

IUPAC4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2csc(C)n2)c(=O)o1
InChIInChI=1S/C17H22N2O3S/c1-5-6-10(2)14-7-11(3)15(17(21)22-14)16(20)18-8-13-9-23-12(4)19-13/h7,9-10H,5-6,8H2,1-4H3,(H,18,20)
InChIKeyBUNAUNSSBTWQIH-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.55
Rot. Bonds6

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

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170502855) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170502855
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2csc(C)n2)c(=O)o1
InChIInChI=1S/C17H22N2O3S/c1-5-6-10(2)14-7-11(3)15(17(21)22-14)16(20)18-8-13-9-23-12(4)19-13/h7,9-10H,5-6,8H2,1-4H3,(H,18,20)
InChIKeyBUNAUNSSBTWQIH-UHFFFAOYSA-N
XLogP3.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170512984
4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide
CID 170512627
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide
CID 170502133
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47044611
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853
1-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47237480
1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95134341
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61284998
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170502855) is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCc2csc(C)n2)c(=O)o1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is BUNAUNSSBTWQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-6-10(2)14-7-11(3)15(17(21)22-14)16(20)18-8-13-9-23-12(4)19-13/h7,9-10H,5-6,8H2,1-4H3,(H,18,20).
What are the key properties of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).