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

C15H23N3O3S — CID 16868246

IUPACN-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCOCCCNC(=O)CC1CSc2nc(CC)cc(=O)n21
InChIInChI=1S/C15H23N3O3S/c1-3-11-8-14(20)18-12(10-22-15(18)17-11)9-13(19)16-6-5-7-21-4-2/h8,12H,3-7,9-10H2,1-2H3,(H,16,19)
InChIKeyRQBORMKHYXQPIQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.39
Rot. Bonds8

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

N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868246) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868246
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCOCCCNC(=O)CC1CSc2nc(CC)cc(=O)n21
InChIInChI=1S/C15H23N3O3S/c1-3-11-8-14(20)18-12(10-22-15(18)17-11)9-13(19)16-6-5-7-21-4-2/h8,12H,3-7,9-10H2,1-2H3,(H,16,19)
InChIKeyRQBORMKHYXQPIQ-UHFFFAOYSA-N
XLogP1.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.39
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-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868246) is N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCOCCCNC(=O)CC1CSc2nc(CC)cc(=O)n21.
What is the InChIKey of N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is RQBORMKHYXQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-11-8-14(20)18-12(10-22-15(18)17-11)9-13(19)16-6-5-7-21-4-2/h8,12H,3-7,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.39, 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-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).