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

C14H21N3O2S — CID 16868197

IUPACN,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)N(CC)CC
InChIInChI=1S/C14H21N3O2S/c1-4-10-7-13(19)17-11(9-20-14(17)15-10)8-12(18)16(5-2)6-3/h7,11H,4-6,8-9H2,1-3H3
InChIKeyBORTYUJVVOQREP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.71
Rot. Bonds5

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

N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868197) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868197
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)N(CC)CC
InChIInChI=1S/C14H21N3O2S/c1-4-10-7-13(19)17-11(9-20-14(17)15-10)8-12(18)16(5-2)6-3/h7,11H,4-6,8-9H2,1-3H3
InChIKeyBORTYUJVVOQREP-UHFFFAOYSA-N
XLogP1.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868197) is N,N-diethyl-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,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is BORTYUJVVOQREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-10-7-13(19)17-11(9-20-14(17)15-10)8-12(18)16(5-2)6-3/h7,11H,4-6,8-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).