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

C14H21N3O3S — CID 16867907

IUPACN-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCOCCCNC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C14H21N3O3S/c1-3-20-6-4-5-15-12(18)8-11-9-21-14-16-10(2)7-13(19)17(11)14/h7,11H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyRPGSQLNLMVHOLN-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.13
Rot. Bonds7

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

N-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16867907) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16867907
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCOCCCNC(=O)CC1CSc2nc(C)cc(=O)n21
InChIInChI=1S/C14H21N3O3S/c1-3-20-6-4-5-15-12(18)8-11-9-21-14-16-10(2)7-13(19)17(11)14/h7,11H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyRPGSQLNLMVHOLN-UHFFFAOYSA-N
XLogP1.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.13
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-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16867907) is N-(3-ethoxypropyl)-2-(7-methyl-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-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCOCCCNC(=O)CC1CSc2nc(C)cc(=O)n21.
What is the InChIKey of N-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is RPGSQLNLMVHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-20-6-4-5-15-12(18)8-11-9-21-14-16-10(2)7-13(19)17(11)14/h7,11H,3-6,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(3-ethoxypropyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.13, 7 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-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).