4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide

C20H23N3O3S — CID 90508376

IUPAC4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-4-11-26-17-7-5-15(6-8-17)19(25)21-10-9-16-13-27-20-22-14(2)12-18(24)23(16)20/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,25)
InChIKeyWYTKFOZIVFODDA-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.22
Rot. Bonds8

About 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide

4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide (PubChem CID 90508376) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
PubChem CID90508376
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-4-11-26-17-7-5-15(6-8-17)19(25)21-10-9-16-13-27-20-22-14(2)12-18(24)23(16)20/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,25)
InChIKeyWYTKFOZIVFODDA-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508372
3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508378
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508336
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
CID 90508334
3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508473
4-butoxy-N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 18564628
2-chloro-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508361
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 90508287
4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7522067
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide (CID 90508376) is 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide is CCCCOc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1.
What is the InChIKey of 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
The InChIKey is WYTKFOZIVFODDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-4-11-26-17-7-5-15(6-8-17)19(25)21-10-9-16-13-27-20-22-14(2)12-18(24)23(16)20/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,25).
What are the key properties of 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 90508376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).