2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

C16H25N3O3S — CID 16868244

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NCCCOC(C)C
InChIInChI=1S/C16H25N3O3S/c1-4-12-8-15(21)19-13(10-23-16(19)18-12)9-14(20)17-6-5-7-22-11(2)3/h8,11,13H,4-7,9-10H2,1-3H3,(H,17,20)
InChIKeyXKRCAUHREYFVTL-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.77
Rot. Bonds8

About 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 16868244) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID16868244
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NCCCOC(C)C
InChIInChI=1S/C16H25N3O3S/c1-4-12-8-15(21)19-13(10-23-16(19)18-12)9-14(20)17-6-5-7-22-11(2)3/h8,11,13H,4-7,9-10H2,1-3H3,(H,17,20)
InChIKeyXKRCAUHREYFVTL-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 16868244) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)NCCCOC(C)C.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is XKRCAUHREYFVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-12-8-15(21)19-13(10-23-16(19)18-12)9-14(20)17-6-5-7-22-11(2)3/h8,11,13H,4-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 16868244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).