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

C14H21N3O3S — CID 16868243

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NCCCOC
InChIInChI=1S/C14H21N3O3S/c1-3-10-7-13(19)17-11(9-21-14(17)16-10)8-12(18)15-5-4-6-20-2/h7,11H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyHQRODATZGQRBEM-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.00
Rot. Bonds7

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

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 16868243) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 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-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide
PubChem CID16868243
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NCCCOC
InChIInChI=1S/C14H21N3O3S/c1-3-10-7-13(19)17-11(9-21-14(17)16-10)8-12(18)15-5-4-6-20-2/h7,11H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyHQRODATZGQRBEM-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135690273
6-ethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561501
N-isopropyl(6-methyl-4-oxo-1-thia-3a,7-diaza-3-indanyl)acetamide
CID 16867897
N-(3-isopropoxypropyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867905
N-isobutyl-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868617
N-ethyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867894
2-{7-methyl-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-propylacetamide
CID 16867895
N-butan-2-yl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867899
N-allyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867901
N-cyclopropyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868013
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
N-(1-methoxypropan-2-yl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868625

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-methoxypropyl)acetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide (CID 16868243) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)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-methoxypropyl)acetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)NCCCOC.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is HQRODATZGQRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-10-7-13(19)17-11(9-21-14(17)16-10)8-12(18)15-5-4-6-20-2/h7,11H,3-6,8-9H2,1-2H3,(H,15,18).
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-methoxypropyl)acetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.00, 7 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-methoxypropyl)acetamide is sourced from PubChem (CID 16868243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).