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

C14H21N3O3S — CID 16867748

IUPAC2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C14H21N3O3S/c1-10(2)20-7-3-5-15-12(18)8-11-9-21-14-16-6-4-13(19)17(11)14/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,15,18)
InChIKeyPCICLYSWGFTILU-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.21
Rot. Bonds7

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

2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 16867748) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID16867748
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C14H21N3O3S/c1-10(2)20-7-3-5-15-12(18)8-11-9-21-14-16-6-4-13(19)17(11)14/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,15,18)
InChIKeyPCICLYSWGFTILU-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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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Related Compounds

5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5227429
N-(3-isopropoxypropyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867905
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867727
2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16867754
2-{6-methyl-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[3-(propan-2-yloxy)propyl]acetamide
CID 16868068
N-butyl-N-methyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867712
N-ethyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867737
2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
CID 16867738
N-butyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867739
N-isopropyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867740
N-isobutyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867741
N-(sec-butyl)-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867742

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 16867748) is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CC1CSc2nccc(=O)n21.
What is the InChIKey of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PCICLYSWGFTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)20-7-3-5-15-12(18)8-11-9-21-14-16-6-4-13(19)17(11)14/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 16867748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).