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

C16H25N3O2S — CID 16868657

IUPAC2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-7-17-14(20)8-12-10-22-16-18-13(11(2)3)9-15(21)19(12)16/h9,11-12H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyBAKUNYXRLGOXOG-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.71
Rot. Bonds7

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

2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide (PubChem CID 16868657) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide
PubChem CID16868657
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-7-17-14(20)8-12-10-22-16-18-13(11(2)3)9-15(21)19(12)16/h9,11-12H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyBAKUNYXRLGOXOG-UHFFFAOYSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide?
The IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide (CID 16868657) is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide?
The canonical SMILES for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide is CCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21.
What is the InChIKey of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide?
The InChIKey is BAKUNYXRLGOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-5-6-7-17-14(20)8-12-10-22-16-18-13(11(2)3)9-15(21)19(12)16/h9,11-12H,4-8,10H2,1-3H3,(H,17,20).
What are the key properties of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide?
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide has a molecular weight of 323.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pentylacetamide is sourced from PubChem (CID 16868657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).