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

C14H21N3O2S — CID 16868237

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(C)C
InChIInChI=1S/C14H21N3O2S/c1-4-10-5-13(19)17-11(8-20-14(17)16-10)6-12(18)15-7-9(2)3/h5,9,11H,4,6-8H2,1-3H3,(H,15,18)
InChIKeyHWJNFQBAOWITML-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.61
Rot. Bonds5

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

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 16868237) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID16868237
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(C)C
InChIInChI=1S/C14H21N3O2S/c1-4-10-5-13(19)17-11(8-20-14(17)16-10)6-12(18)15-7-9(2)3/h5,9,11H,4,6-8H2,1-3H3,(H,15,18)
InChIKeyHWJNFQBAOWITML-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135690273
N-cyclopentyl-2-[(4-isopropyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135491354
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
2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16868630
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868631
N-allyl-2-((5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561956
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

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-(2-methylpropyl)acetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide (CID 16868237) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)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-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(C)C.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is HWJNFQBAOWITML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-10-5-13(19)17-11(8-20-14(17)16-10)6-12(18)15-7-9(2)3/h5,9,11H,4,6-8H2,1-3H3,(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-(2-methylpropyl)acetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 16868237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).