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

C15H23N3O2S — CID 16868387

IUPACN,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N(CC)CC
InChIInChI=1S/C15H23N3O2S/c1-4-7-11-8-14(20)18-12(10-21-15(18)16-11)9-13(19)17(5-2)6-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyASUAKZLXXHEATK-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.10
Rot. Bonds6

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

N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868387) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868387
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N(CC)CC
InChIInChI=1S/C15H23N3O2S/c1-4-7-11-8-14(20)18-12(10-21-15(18)16-11)9-13(19)17(5-2)6-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyASUAKZLXXHEATK-UHFFFAOYSA-N
XLogP2.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.10
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-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868387) is N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCc1cc(=O)n2c(n1)SCC2CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is ASUAKZLXXHEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-7-11-8-14(20)18-12(10-21-15(18)16-11)9-13(19)17(5-2)6-3/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 309.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).