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

C16H25N3O3S — CID 16868626

IUPACN-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCOCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C16H25N3O3S/c1-4-22-7-5-6-17-14(20)8-12-10-23-16-18-13(11(2)3)9-15(21)19(12)16/h9,11-12H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyJYOJQFSGIXMWPF-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.95
Rot. Bonds8

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

N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868626) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868626
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCOCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C16H25N3O3S/c1-4-22-7-5-6-17-14(20)8-12-10-23-16-18-13(11(2)3)9-15(21)19(12)16/h9,11-12H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyJYOJQFSGIXMWPF-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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 N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868626) is N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCOCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21.
What is the InChIKey of N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is JYOJQFSGIXMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-22-7-5-6-17-14(20)8-12-10-23-16-18-13(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 N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).